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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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).