9-(3-chloro-4-pyridinyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine

C14H10ClF3N6 — CID 11725713

IUPAC9-(3-chloro-4-pyridinyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine
SMILESFC(F)(F)c1nc(NC2CC2)c2ncn(-c3ccncc3Cl)c2n1
InChIInChI=1S/C14H10ClF3N6/c15-8-5-19-4-3-9(8)24-6-20-10-11(21-7-1-2-7)22-13(14(16,17)18)23-12(10)24/h3-7H,1-2H2,(H,21,22,23)
InChIKeyZFOSGOAXYJUXER-UHFFFAOYSA-N
MW354.72 g/mol
LogP3.46
Rot. Bonds3

About 9-(3-chloro-4-pyridinyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine

9-(3-chloro-4-pyridinyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine (PubChem CID 11725713) has the molecular formula C14H10ClF3N6 and a molecular weight of 354.72 g/mol. Its IUPAC name is 9-(3-chloro-4-pyridinyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound Name9-(3-chloro-4-pyridinyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine
PubChem CID11725713
Molecular FormulaC14H10ClF3N6
Molecular Weight354.72 g/mol
Exact Mass354.06
IUPAC Name9-(3-chloro-4-pyridinyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine
SMILESFC(F)(F)c1nc(NC2CC2)c2ncn(-c3ccncc3Cl)c2n1
InChIInChI=1S/C14H10ClF3N6/c15-8-5-19-4-3-9(8)24-6-20-10-11(21-7-1-2-7)22-13(14(16,17)18)23-12(10)24/h3-7H,1-2H2,(H,21,22,23)
InChIKeyZFOSGOAXYJUXER-UHFFFAOYSA-N
XLogP3.46
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]benzoic acid
CID 10044232
N-cyclopropyl-9-(3-phenylmethoxyphenyl)-2-(trifluoromethyl)purin-6-amine
CID 10251808
N-cyclopropyl-9-(2,6-dimethoxy-4-pyridinyl)-2-(trifluoromethyl)purin-6-amine
CID 151858532
2-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-5-(4-fluorophenyl)sulfonylbenzamide
CID 175245078
9-(1-cyclopentylethyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine
CID 68524834
N-cyclopropyl-9-(thiophen-2-ylmethyl)-2-(trifluoromethyl)purin-6-amine
CID 68524872
N-cyclopropyl-9-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)purin-6-amine
CID 68526619
N-cyclopropyl-9-(3-methoxyphenyl)-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-(4-methoxyphenyl)-2-(trifluoromethyl)purin-6-amine;N-cyclopropyl-9-(3-nitrophenyl)-2-(trifluoromethyl)purin-6-amine
CID 158612584
6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117078892
N-methyl-9-(2-methylsulfonylphenyl)-2-(trifluoromethyl)purin-6-amine
CID 68523367
9-cycloheptyl-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 10267710
6-chloro-4-N-cyclohexyl-2-(trifluoromethyl)pyrimidine-4,5-diamine
CID 138684457

Frequently Asked Questions

What is the IUPAC name of 9-(3-chloro-4-pyridinyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of 9-(3-chloro-4-pyridinyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine (CID 11725713) is 9-(3-chloro-4-pyridinyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for 9-(3-chloro-4-pyridinyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for 9-(3-chloro-4-pyridinyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine is FC(F)(F)c1nc(NC2CC2)c2ncn(-c3ccncc3Cl)c2n1.
What is the InChIKey of 9-(3-chloro-4-pyridinyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine?
The InChIKey is ZFOSGOAXYJUXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N6/c15-8-5-19-4-3-9(8)24-6-20-10-11(21-7-1-2-7)22-13(14(16,17)18)23-12(10)24/h3-7H,1-2H2,(H,21,22,23).
What are the key properties of 9-(3-chloro-4-pyridinyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine?
9-(3-chloro-4-pyridinyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine has a molecular weight of 354.72 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-4-pyridinyl)-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 11725713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).