N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine

C15H13ClN4 — CID 80936805

IUPACN-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine
SMILESCCc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C15H13ClN4/c1-2-14-19-13(16)9-15(20-14)18-11-5-6-12-10(8-11)4-3-7-17-12/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeyGNMMIIBZQKWALW-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.98
Rot. Bonds3

About N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine

N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine (PubChem CID 80936805) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine.

Molecular Properties

Compound NameN-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine
PubChem CID80936805
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC NameN-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine
SMILESCCc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C15H13ClN4/c1-2-14-19-13(16)9-15(20-14)18-11-5-6-12-10(8-11)4-3-7-17-12/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeyGNMMIIBZQKWALW-UHFFFAOYSA-N
XLogP3.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
CID 80944911
6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 80943528
6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
CID 80832323
6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine
CID 80944024
6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 80936780
6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine
CID 80936731
2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
CID 108778186
N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777939
N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine
CID 80939768
5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
CID 80802898
N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine
CID 162654149
6-N-quinolin-6-ylpyridine-2,3,6-triamine
CID 79826455

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine?
The IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine (CID 80936805) is N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine.
What is the SMILES notation for N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine?
The canonical SMILES for N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine is CCc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1.
What is the InChIKey of N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine?
The InChIKey is GNMMIIBZQKWALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-2-14-19-13(16)9-15(20-14)18-11-5-6-12-10(8-11)4-3-7-17-12/h3-9H,2H2,1H3,(H,18,19,20).
What are the key properties of N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine?
N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine has a molecular weight of 284.75 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine is sourced from PubChem (CID 80936805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).