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

C17H20ClN5O — CID 44531066

IUPAC6-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCOc1ccccc1Cc1c(C)nc2nc(N)nc(N)c2c1C.Cl
InChIInChI=1S/C17H19N5O.ClH/c1-9-12(8-11-6-4-5-7-13(11)23-3)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
InChIKeyIZNXPKXREWNXEW-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.83
Rot. Bonds3

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

6-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 44531066) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
PubChem CID44531066
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name6-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCOc1ccccc1Cc1c(C)nc2nc(N)nc(N)c2c1C.Cl
InChIInChI=1S/C17H19N5O.ClH/c1-9-12(8-11-6-4-5-7-13(11)23-3)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
InChIKeyIZNXPKXREWNXEW-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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 6-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (CID 44531066) is 6-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is COc1ccccc1Cc1c(C)nc2nc(N)nc(N)c2c1C.Cl.
What is the InChIKey of 6-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is IZNXPKXREWNXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O.ClH/c1-9-12(8-11-6-4-5-7-13(11)23-3)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-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
6-[(2-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-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44531066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).