2-(aminomethyl)-8-chloroquinazolin-4-amine

C9H9ClN4 — CID 105462502

IUPAC2-(aminomethyl)-8-chloroquinazolin-4-amine
SMILESNCc1nc(N)c2cccc(Cl)c2n1
InChIInChI=1S/C9H9ClN4/c10-6-3-1-2-5-8(6)13-7(4-11)14-9(5)12/h1-3H,4,11H2,(H2,12,13,14)
InChIKeyUHIMDMMUTHDUAD-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.32
Rot. Bonds1

About 2-(aminomethyl)-8-chloroquinazolin-4-amine

2-(aminomethyl)-8-chloroquinazolin-4-amine (PubChem CID 105462502) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-(aminomethyl)-8-chloroquinazolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-8-chloroquinazolin-4-amine
PubChem CID105462502
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name2-(aminomethyl)-8-chloroquinazolin-4-amine
SMILESNCc1nc(N)c2cccc(Cl)c2n1
InChIInChI=1S/C9H9ClN4/c10-6-3-1-2-5-8(6)13-7(4-11)14-9(5)12/h1-3H,4,11H2,(H2,12,13,14)
InChIKeyUHIMDMMUTHDUAD-UHFFFAOYSA-N
XLogP1.32
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-8-fluoroquinazolin-2-yl)methanamine
CID 84781950
8-bromo-2-(chloromethyl)quinazolin-4-amine
CID 155601133
2-(8-chloro-4-methylquinolin-2-yl)ethanamine
CID 82575547
(8-fluoro-4-methylquinazolin-2-yl)methanamine
CID 84771826
2-amino-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile
CID 175993712
(9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine
CID 84631736
2-amino-8-chloroquinazoline-4-carboxylic acid
CID 105481373
2-amino-8-chloro-3-methylquinazolin-4-one
CID 84780957
2,8-dichloro-4-ethylquinazoline
CID 105484309
2-(3-chloro-2-methylphenyl)-8-methylquinazolin-4-amine
CID 107100374
3-(8-chloroquinazolin-2-yl)propan-1-amine
CID 105478668
(4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine
CID 117274576

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-8-chloroquinazolin-4-amine?
The IUPAC name of 2-(aminomethyl)-8-chloroquinazolin-4-amine (CID 105462502) is 2-(aminomethyl)-8-chloroquinazolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-8-chloroquinazolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-8-chloroquinazolin-4-amine is NCc1nc(N)c2cccc(Cl)c2n1.
What is the InChIKey of 2-(aminomethyl)-8-chloroquinazolin-4-amine?
The InChIKey is UHIMDMMUTHDUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c10-6-3-1-2-5-8(6)13-7(4-11)14-9(5)12/h1-3H,4,11H2,(H2,12,13,14).
What are the key properties of 2-(aminomethyl)-8-chloroquinazolin-4-amine?
2-(aminomethyl)-8-chloroquinazolin-4-amine has a molecular weight of 208.65 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-8-chloroquinazolin-4-amine is sourced from PubChem (CID 105462502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).