N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine

C14H13F2N3 — CID 133362263

IUPACN-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine
SMILESFC(F)c1nc(NC2CC=CC2)c2ccccc2n1
InChIInChI=1S/C14H13F2N3/c15-12(16)14-18-11-8-4-3-7-10(11)13(19-14)17-9-5-1-2-6-9/h1-4,7-9,12H,5-6H2,(H,17,18,19)
InChIKeyTYAJXVOADUKHRO-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.70
Rot. Bonds3

About N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine

N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine (PubChem CID 133362263) has the molecular formula C14H13F2N3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine
PubChem CID133362263
Molecular FormulaC14H13F2N3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine
SMILESFC(F)c1nc(NC2CC=CC2)c2ccccc2n1
InChIInChI=1S/C14H13F2N3/c15-12(16)14-18-11-8-4-3-7-10(11)13(19-14)17-9-5-1-2-6-9/h1-4,7-9,12H,5-6H2,(H,17,18,19)
InChIKeyTYAJXVOADUKHRO-UHFFFAOYSA-N
XLogP3.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopropyloxan-4-yl)-2-(difluoromethyl)quinazolin-4-amine
CID 133473493
2-(difluoromethyl)-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine
CID 133381147
2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol
CID 133496325
2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine
CID 133439557
1-[3-[[2-(difluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366706
2-(difluoromethyl)-N-(1,1-dioxo-7-oxa-1λ6-thiaspiro[3.5]nonan-3-yl)quinazolin-4-amine
CID 167978535
2-[3-[[2-(difluoromethyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol
CID 133385042
2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine
CID 95769191
2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine
CID 56553646
(2R)-2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 122050851
(2S)-2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 122049640
N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine
CID 56553921

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine (CID 133362263) is N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine is FC(F)c1nc(NC2CC=CC2)c2ccccc2n1.
What is the InChIKey of N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine?
The InChIKey is TYAJXVOADUKHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3/c15-12(16)14-18-11-8-4-3-7-10(11)13(19-14)17-9-5-1-2-6-9/h1-4,7-9,12H,5-6H2,(H,17,18,19).
What are the key properties of N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine?
N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine has a molecular weight of 261.28 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 133362263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).