2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one

C14H11Cl3N4O3 — CID 139320300

IUPAC2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one
SMILESCOc1cc(OC)c(Cl)c(N2Cc3cnc(Cl)nc3NC2=O)c1Cl
InChIInChI=1S/C14H11Cl3N4O3/c1-23-7-3-8(24-2)10(16)11(9(7)15)21-5-6-4-18-13(17)19-12(6)20-14(21)22/h3-4H,5H2,1-2H3,(H,18,19,20,22)
InChIKeyOIFFFMSXNRXLQX-UHFFFAOYSA-N
MW389.63 g/mol
LogP4.01
Rot. Bonds3

About 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one

2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one (PubChem CID 139320300) has the molecular formula C14H11Cl3N4O3 and a molecular weight of 389.63 g/mol. Its IUPAC name is 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one
PubChem CID139320300
Molecular FormulaC14H11Cl3N4O3
Molecular Weight389.63 g/mol
Exact Mass387.99
IUPAC Name2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one
SMILESCOc1cc(OC)c(Cl)c(N2Cc3cnc(Cl)nc3NC2=O)c1Cl
InChIInChI=1S/C14H11Cl3N4O3/c1-23-7-3-8(24-2)10(16)11(9(7)15)21-5-6-4-18-13(17)19-12(6)20-14(21)22/h3-4H,5H2,1-2H3,(H,18,19,20,22)
InChIKeyOIFFFMSXNRXLQX-UHFFFAOYSA-N
XLogP4.01
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.63
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one (CID 139320300) is 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one is COc1cc(OC)c(Cl)c(N2Cc3cnc(Cl)nc3NC2=O)c1Cl.
What is the InChIKey of 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one?
The InChIKey is OIFFFMSXNRXLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N4O3/c1-23-7-3-8(24-2)10(16)11(9(7)15)21-5-6-4-18-13(17)19-12(6)20-14(21)22/h3-4H,5H2,1-2H3,(H,18,19,20,22).
What are the key properties of 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one?
2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one has a molecular weight of 389.63 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 139320300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).