2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine

C13H14ClN3 — CID 62477691

IUPAC2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine
SMILESClc1nc(NCC2CCC2)c2ccccc2n1
InChIInChI=1S/C13H14ClN3/c14-13-16-11-7-2-1-6-10(11)12(17-13)15-8-9-4-3-5-9/h1-2,6-7,9H,3-5,8H2,(H,15,16,17)
InChIKeyDLKGBQYPILTVEQ-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.50
Rot. Bonds3

About 2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine

2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine (PubChem CID 62477691) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine
PubChem CID62477691
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine
SMILESClc1nc(NCC2CCC2)c2ccccc2n1
InChIInChI=1S/C13H14ClN3/c14-13-16-11-7-2-1-6-10(11)12(17-13)15-8-9-4-3-5-9/h1-2,6-7,9H,3-5,8H2,(H,15,16,17)
InChIKeyDLKGBQYPILTVEQ-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine
CID 62475651
2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine
CID 63833541
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine
CID 106028358
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid
CID 63869094
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine
CID 63687023
2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
2-chloro-N-cyclododecylquinazolin-4-amine
CID 22692916
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778
3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138447
4-N-[(4-methylcyclohexyl)methyl]quinazoline-2,4-diamine
CID 80828289
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine (CID 62477691) is 2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine is Clc1nc(NCC2CCC2)c2ccccc2n1.
What is the InChIKey of 2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine?
The InChIKey is DLKGBQYPILTVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-13-16-11-7-2-1-6-10(11)12(17-13)15-8-9-4-3-5-9/h1-2,6-7,9H,3-5,8H2,(H,15,16,17).
What are the key properties of 2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine?
2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine has a molecular weight of 247.73 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine is sourced from PubChem (CID 62477691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).