5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride

C17H20ClN5 — CID 44531556

IUPAC5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCc1ccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)cc1.Cl
InChIInChI=1S/C17H19N5.ClH/c1-9-4-6-12(7-5-9)8-13-10(2)14-15(18)21-17(19)22-16(14)20-11(13)3;/h4-7H,8H2,1-3H3,(H4,18,19,20,21,22);1H
InChIKeyVWUKUPYKMLVZMT-UHFFFAOYSA-N
MW329.84 g/mol
LogP3.13
Rot. Bonds2

About 5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride

5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 44531556) has the molecular formula C17H20ClN5 and a molecular weight of 329.84 g/mol. Its IUPAC name is 5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
PubChem CID44531556
Molecular FormulaC17H20ClN5
Molecular Weight329.84 g/mol
Exact Mass329.14
IUPAC Name5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCc1ccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)cc1.Cl
InChIInChI=1S/C17H19N5.ClH/c1-9-4-6-12(7-5-9)8-13-10(2)14-15(18)21-17(19)22-16(14)20-11(13)3;/h4-7H,8H2,1-3H3,(H4,18,19,20,21,22);1H
InChIKeyVWUKUPYKMLVZMT-UHFFFAOYSA-N
XLogP3.13
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.84
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (CID 44531556) is 5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is Cc1ccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)cc1.Cl.
What is the InChIKey of 5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is VWUKUPYKMLVZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5.ClH/c1-9-4-6-12(7-5-9)8-13-10(2)14-15(18)21-17(19)22-16(14)20-11(13)3;/h4-7H,8H2,1-3H3,(H4,18,19,20,21,22);1H.
What are the key properties of 5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 329.84 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44531556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).