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

C17H20ClN5O — CID 44531543

IUPAC6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCOc1cccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)c1.Cl
InChIInChI=1S/C17H19N5O.ClH/c1-9-13(8-11-5-4-6-12(7-11)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
InChIKeyXVVNNDJSPPKWOT-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.83
Rot. Bonds3

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

6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 44531543) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
PubChem CID44531543
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCOc1cccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)c1.Cl
InChIInChI=1S/C17H19N5O.ClH/c1-9-13(8-11-5-4-6-12(7-11)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
InChIKeyXVVNNDJSPPKWOT-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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Related Compounds

3-[(2,4-diamino-5,7-dimethylpyrido[2,3-d]pyrimidin-6-yl)methyl]benzamide
CID 44531534
5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
CID 44531556
6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
CID 44531535
2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 1451575
2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 166178490
4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine
CID 87167555
methyl 4-amino-2-[(3-methoxyphenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647516
1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
CID 121320242
4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine
CID 117106594
2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 61025987
(3-methoxyphenyl)methanethiol
CID 10749403
methyl 2-[(3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 79017484

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (CID 44531543) is 6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is COc1cccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)c1.Cl.
What is the InChIKey of 6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is XVVNNDJSPPKWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O.ClH/c1-9-13(8-11-5-4-6-12(7-11)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-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
6-[(3-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-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44531543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).