2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine

C16H15ClN4O2 — CID 87753205

IUPAC2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(CNc2nc(Cl)nc3ncccc23)cc(OC)c1
InChIInChI=1S/C16H15ClN4O2/c1-22-11-6-10(7-12(8-11)23-2)9-19-15-13-4-3-5-18-14(13)20-16(17)21-15/h3-8H,9H2,1-2H3,(H,18,19,20,21)
InChIKeyDYNDMCZHSXMPDL-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.31
Rot. Bonds5

About 2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine

2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 87753205) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID87753205
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(CNc2nc(Cl)nc3ncccc23)cc(OC)c1
InChIInChI=1S/C16H15ClN4O2/c1-22-11-6-10(7-12(8-11)23-2)9-19-15-13-4-3-5-18-14(13)20-16(17)21-15/h3-8H,9H2,1-2H3,(H,18,19,20,21)
InChIKeyDYNDMCZHSXMPDL-UHFFFAOYSA-N
XLogP3.31
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine
CID 56969051
2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine
CID 82459612
N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine
CID 165347661
2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320788
N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706520
N-[(3,5-dimethoxyphenyl)methyl]-2-ethylsulfanylquinazolin-4-amine
CID 11653306
CID 56969500
CID 56969500
2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 150535612
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 87481246
2-chloro-6-ethyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066400
3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 62735098
N-[(3,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 47024016

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine (CID 87753205) is 2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine is COc1cc(CNc2nc(Cl)nc3ncccc23)cc(OC)c1.
What is the InChIKey of 2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is DYNDMCZHSXMPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-22-11-6-10(7-12(8-11)23-2)9-19-15-13-4-3-5-18-14(13)20-16(17)21-15/h3-8H,9H2,1-2H3,(H,18,19,20,21).
What are the key properties of 2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine?
2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 330.78 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 87753205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).