6-CHLOROPYRIMIDO[5,4-D]PYRIMIDIN-4(3H)-ONE

Modify Date: 2025-08-25 20:04:48

6-CHLOROPYRIMIDO[5,4-D]PYRIMIDIN-4(3H)-ONE Structure
6-CHLOROPYRIMIDO[5,4-D]PYRIMIDIN-4(3H)-ONE structure
Common Name 6-CHLOROPYRIMIDO[5,4-D]PYRIMIDIN-4(3H)-ONE
CAS Number 189747-31-7 Molecular Weight 182.56700
Density 1.872g/cm3 Boiling Point 458.567ºC at 760 mmHg
Molecular Formula C6H3ClN4O Melting Point N/A
MSDS N/A Flash Point 231.133ºC

 Names

Name 6-chloro-1H-pyrimido[5,4-d]pyrimidin-4-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.872g/cm3
Boiling Point 458.567ºC at 760 mmHg
Molecular Formula C6H3ClN4O
Molecular Weight 182.56700
Flash Point 231.133ºC
Exact Mass 182.00000
PSA 71.53000
LogP 0.36650
Vapour Pressure 0mmHg at 25°C
Index of Refraction 1.829
InChIKey OBLBJCVARYVWJH-UHFFFAOYSA-N
SMILES O=c1[nH]cnc2cnc(Cl)nc12

 Safety Information

HS Code 2933990090

 Synthetic Route

~81%

6-CHLOROPYRIMIDO[5,4-D]PYRIMIDIN-4(3H)-ONE Structure

6-CHLOROPYRIMID...

CAS#:189747-31-7

Literature: Rewcastle, Gordon W.; Bridges, Alexander J.; Fry, David W.; Rubin, J. Ronald; Denny, William A. Journal of Medicinal Chemistry, 1997 , vol. 40, # 12 p. 1820 - 1826

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6-CHLOROPYRIMIDO[5,4-D]PYRIMIDIN-4(3H)-ONE Structure

6-CHLOROPYRIMID...

CAS#:189747-31-7

Literature: Journal of Medicinal Chemistry, , vol. 40, # 12 p. 1820 - 1826

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

qc-5627
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