7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine

C14H12ClN5 — CID 154123994

IUPAC7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1c(Cl)nc2nc(N)nc(N)c2c1-c1ccccc1
InChIInChI=1S/C14H12ClN5/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,(H4,16,17,18,19,20)
InChIKeyRLNRCDCMELQWDT-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.82
Rot. Bonds1

About 7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine

7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 154123994) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID154123994
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1c(Cl)nc2nc(N)nc(N)c2c1-c1ccccc1
InChIInChI=1S/C14H12ClN5/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,(H4,16,17,18,19,20)
InChIKeyRLNRCDCMELQWDT-UHFFFAOYSA-N
XLogP2.82
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine
CID 154099945
6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4,7-triamine;hydrate;hydrochloride
CID 161410254
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
6-(2-chlorophenyl)-5-methylquinazoline-2,4-diamine
CID 134112794
5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine
CID 59007781
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507
4-ethyl-6-methyl-5-phenylpyrimidin-2-amine
CID 58387688
2,6-dichloro-3-methyl-4-phenylpyridine
CID 15154293
ethane;2,4,6-trichloro-3-phenylpyridine
CID 91101159

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 154123994) is 7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine is Cc1c(Cl)nc2nc(N)nc(N)c2c1-c1ccccc1.
What is the InChIKey of 7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is RLNRCDCMELQWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/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,(H4,16,17,18,19,20).
What are the key properties of 7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine?
7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 285.74 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 154123994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).