8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C18H15ClN6 — CID 146387201

IUPAC8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccccc3)nc(N)n3nc(C)nc23)cc(Cl)n1
InChIInChI=1S/C18H15ClN6/c1-10-8-13(9-14(19)21-10)15-16(12-6-4-3-5-7-12)23-18(20)25-17(15)22-11(2)24-25/h3-9H,1-2H3,(H2,20,23)
InChIKeyPQUCUTAUGGCSDS-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.71
Rot. Bonds2

About 8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146387201) has the molecular formula C18H15ClN6 and a molecular weight of 350.81 g/mol. Its IUPAC name is 8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146387201
Molecular FormulaC18H15ClN6
Molecular Weight350.81 g/mol
Exact Mass350.10
IUPAC Name8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccccc3)nc(N)n3nc(C)nc23)cc(Cl)n1
InChIInChI=1S/C18H15ClN6/c1-10-8-13(9-14(19)21-10)15-16(12-6-4-3-5-7-12)23-18(20)25-17(15)22-11(2)24-25/h3-9H,1-2H3,(H2,20,23)
InChIKeyPQUCUTAUGGCSDS-UHFFFAOYSA-N
XLogP3.71
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 158544721
8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine
CID 168758989
7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387248
2-[3-[5-amino-8-(3-chloro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387214
[5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 161080827
2-[(2,6-difluorophenyl)methyl]-8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490911
5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile;8-(2-chloro-6-methyl-4-pyridinyl)-2-[(dimethylamino)methyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(dimethylamino)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;bis(2-methyl-7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine);8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 160613790
5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile
CID 146387209
[5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
CID 146387175
ethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate
CID 153338422
3-[5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508728
5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-7-phenyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 156863813

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146387201) is 8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccccc3)nc(N)n3nc(C)nc23)cc(Cl)n1.
What is the InChIKey of 8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is PQUCUTAUGGCSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6/c1-10-8-13(9-14(19)21-10)15-16(12-6-4-3-5-7-12)23-18(20)25-17(15)22-11(2)24-25/h3-9H,1-2H3,(H2,20,23).
What are the key properties of 8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 350.81 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146387201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).