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

C17H20ClN5O — CID 44531562

IUPAC6-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCOc1ccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)cc1.Cl
InChIInChI=1S/C17H19N5O.ClH/c1-9-13(8-11-4-6-12(23-3)7-5-11)10(2)20-16-14(9)15(18)21-17(19)22-16;/h4-7H,8H2,1-3H3,(H4,18,19,20,21,22);1H
InChIKeyMXHIELSYTXTOOH-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.83
Rot. Bonds3

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

6-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 44531562) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
PubChem CID44531562
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name6-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCOc1ccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)cc1.Cl
InChIInChI=1S/C17H19N5O.ClH/c1-9-13(8-11-4-6-12(23-3)7-5-11)10(2)20-16-14(9)15(18)21-17(19)22-16;/h4-7H,8H2,1-3H3,(H4,18,19,20,21,22);1H
InChIKeyMXHIELSYTXTOOH-UHFFFAOYSA-N
XLogP2.83
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (CID 44531562) is 6-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is COc1ccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)cc1.Cl.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is MXHIELSYTXTOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O.ClH/c1-9-13(8-11-4-6-12(23-3)7-5-11)10(2)20-16-14(9)15(18)21-17(19)22-16;/h4-7H,8H2,1-3H3,(H4,18,19,20,21,22);1H.
What are the key properties of 6-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
6-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 345.83 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44531562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).