6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride

C14H17ClN6O — CID 161410254

IUPAC6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride
SMILESCc1c(N)nc2nc(N)nc(N)c2c1-c1ccccc1.Cl.O
InChIInChI=1S/C14H14N6.ClH.H2O/c1-7-9(8-5-3-2-4-6-8)10-12(16)19-14(17)20-13(10)18-11(7)15;;/h2-6H,1H3,(H6,15,16,17,18,19,20);1H;1H2
InChIKeyVVJHWKHRQBSXQO-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.34
Rot. Bonds1

About 6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride

6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride (PubChem CID 161410254) has the molecular formula C14H17ClN6O and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride.

Molecular Properties

Compound Name6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride
PubChem CID161410254
Molecular FormulaC14H17ClN6O
Molecular Weight320.78 g/mol
Exact Mass320.12
IUPAC Name6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride
SMILESCc1c(N)nc2nc(N)nc(N)c2c1-c1ccccc1.Cl.O
InChIInChI=1S/C14H14N6.ClH.H2O/c1-7-9(8-5-3-2-4-6-8)10-12(16)19-14(17)20-13(10)18-11(7)15;;/h2-6H,1H3,(H6,15,16,17,18,19,20);1H;1H2
InChIKeyVVJHWKHRQBSXQO-UHFFFAOYSA-N
XLogP1.34
TPSA148.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine
CID 154099945
7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 154123994
5-phenyl-6-propylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride
CID 163998742
2,4-diamino-5-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one
CID 17198451
6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 44531577
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
4-phenylpteridine-2,6,7-triamine
CID 119087986
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507
ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine
CID 91413319
4-ethyl-6-methyl-5-phenylpyrimidin-2-amine
CID 58387688
5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
CID 44531556
5-methyl-7-(1-phenylcyclopentyl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 141163352

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride?
The IUPAC name of 6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride (CID 161410254) is 6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride.
What is the SMILES notation for 6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride?
The canonical SMILES for 6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride is Cc1c(N)nc2nc(N)nc(N)c2c1-c1ccccc1.Cl.O.
What is the InChIKey of 6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride?
The InChIKey is VVJHWKHRQBSXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6.ClH.H2O/c1-7-9(8-5-3-2-4-6-8)10-12(16)19-14(17)20-13(10)18-11(7)15;;/h2-6H,1H3,(H6,15,16,17,18,19,20);1H;1H2.
What are the key properties of 6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride?
6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride has a molecular weight of 320.78 g/mol, XLogP of 1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride is sourced from PubChem (CID 161410254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).