6-(2-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine

C18H14N6 — CID 155555328

IUPAC6-(2-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESNc1ncc2cc(-c3ccccc3-c3cccnc3)c(N)nc2n1
InChIInChI=1S/C18H14N6/c19-16-15(8-12-10-22-18(20)24-17(12)23-16)14-6-2-1-5-13(14)11-4-3-7-21-9-11/h1-10H,(H4,19,20,22,23,24)
InChIKeyPGVJESMCPBRKFE-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.92
Rot. Bonds2

About 6-(2-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine

6-(2-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine (PubChem CID 155555328) has the molecular formula C18H14N6 and a molecular weight of 314.35 g/mol. Its IUPAC name is 6-(2-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name6-(2-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
PubChem CID155555328
Molecular FormulaC18H14N6
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC Name6-(2-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
SMILESNc1ncc2cc(-c3ccccc3-c3cccnc3)c(N)nc2n1
InChIInChI=1S/C18H14N6/c19-16-15(8-12-10-22-18(20)24-17(12)23-16)14-6-2-1-5-13(14)11-4-3-7-21-9-11/h1-10H,(H4,19,20,22,23,24)
InChIKeyPGVJESMCPBRKFE-UHFFFAOYSA-N
XLogP2.92
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
The IUPAC name of 6-(2-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine (CID 155555328) is 6-(2-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 6-(2-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
The canonical SMILES for 6-(2-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine is Nc1ncc2cc(-c3ccccc3-c3cccnc3)c(N)nc2n1.
What is the InChIKey of 6-(2-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
The InChIKey is PGVJESMCPBRKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6/c19-16-15(8-12-10-22-18(20)24-17(12)23-16)14-6-2-1-5-13(14)11-4-3-7-21-9-11/h1-10H,(H4,19,20,22,23,24).
What are the key properties of 6-(2-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine?
6-(2-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine has a molecular weight of 314.35 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 155555328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).