3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide

C15H13F3N6O2 — CID 42569285

IUPAC3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCNc1ncnc2nc[nH]c12)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N6O2/c16-15(17,18)26-10-3-1-9(2-4-10)24-11(25)5-6-19-13-12-14(21-7-20-12)23-8-22-13/h1-4,7-8H,5-6H2,(H,24,25)(H2,19,20,21,22,23)
InChIKeyFJPCIZHZAJCRMV-UHFFFAOYSA-N
MW366.30 g/mol
LogP2.69
Rot. Bonds6

About 3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide

3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 42569285) has the molecular formula C15H13F3N6O2 and a molecular weight of 366.30 g/mol. Its IUPAC name is 3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID42569285
Molecular FormulaC15H13F3N6O2
Molecular Weight366.30 g/mol
Exact Mass366.11
IUPAC Name3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCNc1ncnc2nc[nH]c12)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N6O2/c16-15(17,18)26-10-3-1-9(2-4-10)24-11(25)5-6-19-13-12-14(21-7-20-12)23-8-22-13/h1-4,7-8H,5-6H2,(H,24,25)(H2,19,20,21,22,23)
InChIKeyFJPCIZHZAJCRMV-UHFFFAOYSA-N
XLogP2.69
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-3-(7H-purin-6-ylamino)propanamide
CID 47299148
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 79198633
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide
CID 42507459
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119262786
4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride
CID 67008573
N-[3-chloro-4-(trifluoromethoxy)phenyl]-7H-purin-6-amine
CID 69241710
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 82848288
4-(4-methylsulfanylphenyl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 31541809
3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7957157

Frequently Asked Questions

What is the IUPAC name of 3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 42569285) is 3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide is O=C(CCNc1ncnc2nc[nH]c12)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is FJPCIZHZAJCRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O2/c16-15(17,18)26-10-3-1-9(2-4-10)24-11(25)5-6-19-13-12-14(21-7-20-12)23-8-22-13/h1-4,7-8H,5-6H2,(H,24,25)(H2,19,20,21,22,23).
What are the key properties of 3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 366.30 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 42569285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).