N-(2,2-dimethylcyclopentyl)quinazolin-4-amine

C15H19N3 — CID 79838682

IUPACN-(2,2-dimethylcyclopentyl)quinazolin-4-amine
SMILESCC1(C)CCCC1Nc1ncnc2ccccc12
InChIInChI=1S/C15H19N3/c1-15(2)9-5-8-13(15)18-14-11-6-3-4-7-12(11)16-10-17-14/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,16,17,18)
InChIKeyFVTIPSHSNCUUFN-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.62
Rot. Bonds2

About N-(2,2-dimethylcyclopentyl)quinazolin-4-amine

N-(2,2-dimethylcyclopentyl)quinazolin-4-amine (PubChem CID 79838682) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)quinazolin-4-amine
PubChem CID79838682
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(2,2-dimethylcyclopentyl)quinazolin-4-amine
SMILESCC1(C)CCCC1Nc1ncnc2ccccc12
InChIInChI=1S/C15H19N3/c1-15(2)9-5-8-13(15)18-14-11-6-3-4-7-12(11)16-10-17-14/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,16,17,18)
InChIKeyFVTIPSHSNCUUFN-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)quinazolin-4-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)quinazolin-4-amine (CID 79838682) is N-(2,2-dimethylcyclopentyl)quinazolin-4-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)quinazolin-4-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)quinazolin-4-amine is CC1(C)CCCC1Nc1ncnc2ccccc12.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)quinazolin-4-amine?
The InChIKey is FVTIPSHSNCUUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-15(2)9-5-8-13(15)18-14-11-6-3-4-7-12(11)16-10-17-14/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2,2-dimethylcyclopentyl)quinazolin-4-amine?
N-(2,2-dimethylcyclopentyl)quinazolin-4-amine has a molecular weight of 241.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)quinazolin-4-amine is sourced from PubChem (CID 79838682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).