4-cyclopentyl-7-fluoroquinazolin-2-amine

C13H14FN3 — CID 105489449

IUPAC4-cyclopentyl-7-fluoroquinazolin-2-amine
SMILESNc1nc(C2CCCC2)c2ccc(F)cc2n1
InChIInChI=1S/C13H14FN3/c14-9-5-6-10-11(7-9)16-13(15)17-12(10)8-3-1-2-4-8/h5-8H,1-4H2,(H2,15,16,17)
InChIKeyKSQNBAIUXFTKQO-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.01
Rot. Bonds1

About 4-cyclopentyl-7-fluoroquinazolin-2-amine

4-cyclopentyl-7-fluoroquinazolin-2-amine (PubChem CID 105489449) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 4-cyclopentyl-7-fluoroquinazolin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-7-fluoroquinazolin-2-amine
PubChem CID105489449
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name4-cyclopentyl-7-fluoroquinazolin-2-amine
SMILESNc1nc(C2CCCC2)c2ccc(F)cc2n1
InChIInChI=1S/C13H14FN3/c14-9-5-6-10-11(7-9)16-13(15)17-12(10)8-3-1-2-4-8/h5-8H,1-4H2,(H2,15,16,17)
InChIKeyKSQNBAIUXFTKQO-UHFFFAOYSA-N
XLogP3.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclohexyl-3-fluorophenanthridine
CID 102531924
4-cyclohexylquinazolin-2-amine
CID 66520631
6-chloro-4-cyclopropylquinazolin-2-amine
CID 105475079
6-cyclopentyl-5-fluoropyrimidine-2,4-diamine
CID 67519663
4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 175879528
4-cyclopentyl-5-fluoropyrimidin-2-amine
CID 171659947
5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine
CID 107281489
2-cyclohexyl-4-fluoroaniline
CID 15335253
2-cyclohexyl-5-fluoroaniline
CID 19754670
7-fluoro-4-(1H-pyrazol-5-yl)quinazolin-2-amine
CID 105486316
2-cyclopentyl-6-fluoroimidazo[1,2-a]pyridin-3-amine
CID 63617790
8-chloro-4-cyclobutylquinazolin-2-amine
CID 105493786

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-7-fluoroquinazolin-2-amine?
The IUPAC name of 4-cyclopentyl-7-fluoroquinazolin-2-amine (CID 105489449) is 4-cyclopentyl-7-fluoroquinazolin-2-amine.
What is the SMILES notation for 4-cyclopentyl-7-fluoroquinazolin-2-amine?
The canonical SMILES for 4-cyclopentyl-7-fluoroquinazolin-2-amine is Nc1nc(C2CCCC2)c2ccc(F)cc2n1.
What is the InChIKey of 4-cyclopentyl-7-fluoroquinazolin-2-amine?
The InChIKey is KSQNBAIUXFTKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-9-5-6-10-11(7-9)16-13(15)17-12(10)8-3-1-2-4-8/h5-8H,1-4H2,(H2,15,16,17).
What are the key properties of 4-cyclopentyl-7-fluoroquinazolin-2-amine?
4-cyclopentyl-7-fluoroquinazolin-2-amine has a molecular weight of 231.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-7-fluoroquinazolin-2-amine is sourced from PubChem (CID 105489449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).