2-(3-chlorophenyl)-4-N-(3-methyl-4-pyridinyl)pyrido[2,3-d]pyrimidine-4,7-diamine

C19H15ClN6 — CID 11989559

IUPAC2-(3-chlorophenyl)-4-N-(3-methyl-4-pyridinyl)pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCc1cnccc1Nc1nc(-c2cccc(Cl)c2)nc2nc(N)ccc12
InChIInChI=1S/C19H15ClN6/c1-11-10-22-8-7-15(11)23-18-14-5-6-16(21)24-19(14)26-17(25-18)12-3-2-4-13(20)9-12/h2-10H,1H3,(H3,21,22,23,24,25,26)
InChIKeyPRMBWJGMZYCNEA-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.37
Rot. Bonds3

About 2-(3-chlorophenyl)-4-N-(3-methyl-4-pyridinyl)pyrido[2,3-d]pyrimidine-4,7-diamine

2-(3-chlorophenyl)-4-N-(3-methyl-4-pyridinyl)pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 11989559) has the molecular formula C19H15ClN6 and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-N-(3-methyl-4-pyridinyl)pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-N-(3-methyl-4-pyridinyl)pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID11989559
Molecular FormulaC19H15ClN6
Molecular Weight362.82 g/mol
Exact Mass362.10
IUPAC Name2-(3-chlorophenyl)-4-N-(3-methyl-4-pyridinyl)pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCc1cnccc1Nc1nc(-c2cccc(Cl)c2)nc2nc(N)ccc12
InChIInChI=1S/C19H15ClN6/c1-11-10-22-8-7-15(11)23-18-14-5-6-16(21)24-19(14)26-17(25-18)12-3-2-4-13(20)9-12/h2-10H,1H3,(H3,21,22,23,24,25,26)
InChIKeyPRMBWJGMZYCNEA-UHFFFAOYSA-N
XLogP4.37
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-N-(3-methyl-4-pyridinyl)pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 2-(3-chlorophenyl)-4-N-(3-methyl-4-pyridinyl)pyrido[2,3-d]pyrimidine-4,7-diamine (CID 11989559) is 2-(3-chlorophenyl)-4-N-(3-methyl-4-pyridinyl)pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-N-(3-methyl-4-pyridinyl)pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 2-(3-chlorophenyl)-4-N-(3-methyl-4-pyridinyl)pyrido[2,3-d]pyrimidine-4,7-diamine is Cc1cnccc1Nc1nc(-c2cccc(Cl)c2)nc2nc(N)ccc12.
What is the InChIKey of 2-(3-chlorophenyl)-4-N-(3-methyl-4-pyridinyl)pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is PRMBWJGMZYCNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6/c1-11-10-22-8-7-15(11)23-18-14-5-6-16(21)24-19(14)26-17(25-18)12-3-2-4-13(20)9-12/h2-10H,1H3,(H3,21,22,23,24,25,26).
What are the key properties of 2-(3-chlorophenyl)-4-N-(3-methyl-4-pyridinyl)pyrido[2,3-d]pyrimidine-4,7-diamine?
2-(3-chlorophenyl)-4-N-(3-methyl-4-pyridinyl)pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 362.82 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-N-(3-methyl-4-pyridinyl)pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 11989559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).