6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one

C16H15ClN4O2 — CID 167527245

IUPAC6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(Cn2c(=O)c(N)cc3c(Cl)nc(C)nc32)cc1
InChIInChI=1S/C16H15ClN4O2/c1-9-19-14(17)12-7-13(18)16(22)21(15(12)20-9)8-10-3-5-11(23-2)6-4-10/h3-7H,8,18H2,1-2H3
InChIKeyNAXSCIYJGVPUMY-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.39
Rot. Bonds3

About 6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one

6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 167527245) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID167527245
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(Cn2c(=O)c(N)cc3c(Cl)nc(C)nc32)cc1
InChIInChI=1S/C16H15ClN4O2/c1-9-19-14(17)12-7-13(18)16(22)21(15(12)20-9)8-10-3-5-11(23-2)6-4-10/h3-7H,8,18H2,1-2H3
InChIKeyNAXSCIYJGVPUMY-UHFFFAOYSA-N
XLogP2.39
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one
CID 43812768
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593
6-[(4-methoxyphenyl)methyl]benzo[b]phenanthridine-5,7,12-trione
CID 118710593
5-amino-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 118001654
5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one
CID 53242336
3-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 46083232
9-[(4-methoxyphenyl)methyl]-2-methyl-8-oxo-7H-purine-6-carboxamide
CID 126468222
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 57423840
4-amino-6-chloro-5-iodo-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
CID 168896400
2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-amine
CID 3212346
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one (CID 167527245) is 6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one is COc1ccc(Cn2c(=O)c(N)cc3c(Cl)nc(C)nc32)cc1.
What is the InChIKey of 6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NAXSCIYJGVPUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-9-19-14(17)12-7-13(18)16(22)21(15(12)20-9)8-10-3-5-11(23-2)6-4-10/h3-7H,8,18H2,1-2H3.
What are the key properties of 6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one?
6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 330.78 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 167527245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).