6-(2-chlorophenyl)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

C19H19ClN4O2 — CID 23551786

IUPAC6-(2-chlorophenyl)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C19H19ClN4O2/c1-24-17-12(10-15(18(24)25)14-4-2-3-5-16(14)20)11-21-19(23-17)22-13-6-8-26-9-7-13/h2-5,10-11,13H,6-9H2,1H3,(H,21,22,23)
InChIKeyQJTIXJPBVMBZGE-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.24
Rot. Bonds3

About 6-(2-chlorophenyl)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-(2-chlorophenyl)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 23551786) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID23551786
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name6-(2-chlorophenyl)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C19H19ClN4O2/c1-24-17-12(10-15(18(24)25)14-4-2-3-5-16(14)20)11-21-19(23-17)22-13-6-8-26-9-7-13/h2-5,10-11,13H,6-9H2,1H3,(H,21,22,23)
InChIKeyQJTIXJPBVMBZGE-UHFFFAOYSA-N
XLogP3.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327885
N-Cyclopropyl-4-Methyl-3-[8-Methyl-7-Oxo-2-(Tetrahydro-2h-Pyran-4-Ylamino)-7,8-Dihydropyrido[2,3-D]pyrimidin-6-Yl]benzamide
CID 25016226
2-amino-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327864
6-(2,6-Dichlorophenyl)-8-methyl-2-methylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327868
6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327869
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 23
CID 5327870
6-(2,6-dichlorophenyl)-2-[(2-hydroxyethyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327873
6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327876
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327877
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327878
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 32
CID 5327879
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 33
CID 5327880

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chlorophenyl)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 23551786) is 6-(2-chlorophenyl)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chlorophenyl)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chlorophenyl)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC3CCOCC3)nc21.
What is the InChIKey of 6-(2-chlorophenyl)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QJTIXJPBVMBZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-24-17-12(10-15(18(24)25)14-4-2-3-5-16(14)20)11-21-19(23-17)22-13-6-8-26-9-7-13/h2-5,10-11,13H,6-9H2,1H3,(H,21,22,23).
What are the key properties of 6-(2-chlorophenyl)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2-chlorophenyl)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 370.84 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23551786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).