4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one

C13H9Cl2N5O — CID 58290014

IUPAC4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one
SMILESCc1cccc(Cl)c1-n1c(N)c2cnc(Cl)nc2nc1=O
InChIInChI=1S/C13H9Cl2N5O/c1-6-3-2-4-8(14)9(6)20-10(16)7-5-17-12(15)18-11(7)19-13(20)21/h2-5H,16H2,1H3
InChIKeyHYKVINDHBVHROW-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.37
Rot. Bonds1

About 4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one

4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one (PubChem CID 58290014) has the molecular formula C13H9Cl2N5O and a molecular weight of 322.16 g/mol. Its IUPAC name is 4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one
PubChem CID58290014
Molecular FormulaC13H9Cl2N5O
Molecular Weight322.16 g/mol
Exact Mass321.02
IUPAC Name4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one
SMILESCc1cccc(Cl)c1-n1c(N)c2cnc(Cl)nc2nc1=O
InChIInChI=1S/C13H9Cl2N5O/c1-6-3-2-4-8(14)9(6)20-10(16)7-5-17-12(15)18-11(7)19-13(20)21/h2-5H,16H2,1H3
InChIKeyHYKVINDHBVHROW-UHFFFAOYSA-N
XLogP2.37
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-(2,6-dichlorophenyl)-7-[4-[(dimethylamino)methyl]anilino]pyrimido[4,5-d]pyrimidin-2-one
CID 46233964
4-amino-3-(2,6-dichlorophenyl)-7-[3-[3-(dimethylamino)propoxy]-4-methylanilino]pyrimido[4,5-d]pyrimidin-2-one
CID 58455471
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one
CID 58455491
4-amino-3-(2,6-dichlorophenyl)-7-[[8-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]pyrimido[4,5-d]pyrimidin-2-one
CID 58289856
4-amino-3-(2,6-dichlorophenyl)-7-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimido[4,5-d]pyrimidin-2-one
CID 58289970
4-amino-3-(2,6-dichlorophenyl)-7-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrimido[4,5-d]pyrimidin-2-one;hydrate
CID 44595896
bis(4-amino-3-(2,6-dichlorophenyl)-7-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrimido[4,5-d]pyrimidin-2-one);heptahydrate;tetrahydrochloride
CID 44595897
4-amino-3-(2,6-dichlorophenyl)-7-[4-[2-(1-methylazetidin-2-yl)ethoxy]anilino]pyrimido[4,5-d]pyrimidin-2-one
CID 58455455
4-amino-3-(2,6-dichlorophenyl)-7-[(2-ethyl-1,1-dimethyl-3,4-dihydroisoquinolin-6-yl)amino]pyrimido[4,5-d]pyrimidin-2-one
CID 58289800
4-amino-3-(2,6-dichlorophenyl)-7-[[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]pyrimido[4,5-d]pyrimidin-2-one
CID 25164715
4-amino-7-[4-[1-butoxy-3-(dimethylamino)propyl]anilino]-3-(2,6-dichlorophenyl)pyrimido[4,5-d]pyrimidin-2-one
CID 58455513

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one (CID 58290014) is 4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one is Cc1cccc(Cl)c1-n1c(N)c2cnc(Cl)nc2nc1=O.
What is the InChIKey of 4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is HYKVINDHBVHROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5O/c1-6-3-2-4-8(14)9(6)20-10(16)7-5-17-12(15)18-11(7)19-13(20)21/h2-5H,16H2,1H3.
What are the key properties of 4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one?
4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 322.16 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-chloro-3-(2-chloro-6-methylphenyl)pyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 58290014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).