6-[(4-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrochloride

C16H19ClN6O — CID 44532035

IUPAC6-[(4-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrochloride
SMILESCOc1ccc(Cc2c(N)nc3nc(N)nc(N)c3c2C)cc1.Cl
InChIInChI=1S/C16H18N6O.ClH/c1-8-11(7-9-3-5-10(23-2)6-4-9)13(17)20-15-12(8)14(18)21-16(19)22-15;/h3-6H,7H2,1-2H3,(H6,17,18,19,20,21,22);1H
InChIKeyKLPSJESNWYZYKX-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.10
Rot. Bonds3

About 6-[(4-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrochloride

6-[(4-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrochloride (PubChem CID 44532035) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrochloride.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrochloride
PubChem CID44532035
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name6-[(4-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrochloride
SMILESCOc1ccc(Cc2c(N)nc3nc(N)nc(N)c3c2C)cc1.Cl
InChIInChI=1S/C16H18N6O.ClH/c1-8-11(7-9-3-5-10(23-2)6-4-9)13(17)20-15-12(8)14(18)21-16(19)22-15;/h3-6H,7H2,1-2H3,(H6,17,18,19,20,21,22);1H
InChIKeyKLPSJESNWYZYKX-UHFFFAOYSA-N
XLogP2.10
TPSA125.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrochloride?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrochloride (CID 44532035) is 6-[(4-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrochloride.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrochloride?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrochloride is COc1ccc(Cc2c(N)nc3nc(N)nc(N)c3c2C)cc1.Cl.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrochloride?
The InChIKey is KLPSJESNWYZYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O.ClH/c1-8-11(7-9-3-5-10(23-2)6-4-9)13(17)20-15-12(8)14(18)21-16(19)22-15;/h3-6H,7H2,1-2H3,(H6,17,18,19,20,21,22);1H.
What are the key properties of 6-[(4-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrochloride?
6-[(4-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrochloride has a molecular weight of 346.82 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrochloride is sourced from PubChem (CID 44532035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).