N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine

C16H15ClN4 — CID 80939768

IUPACN-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine
SMILESCCCc1nc(Cl)cc(Nc2cccc3ncccc23)n1
InChIInChI=1S/C16H15ClN4/c1-2-5-15-20-14(17)10-16(21-15)19-13-8-3-7-12-11(13)6-4-9-18-12/h3-4,6-10H,2,5H2,1H3,(H,19,20,21)
InChIKeyGRRXMATYMSDNGH-UHFFFAOYSA-N
MW298.78 g/mol
LogP4.37
Rot. Bonds4

About N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine

N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine (PubChem CID 80939768) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine.

Molecular Properties

Compound NameN-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine
PubChem CID80939768
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC NameN-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine
SMILESCCCc1nc(Cl)cc(Nc2cccc3ncccc23)n1
InChIInChI=1S/C16H15ClN4/c1-2-5-15-20-14(17)10-16(21-15)19-13-8-3-7-12-11(13)6-4-9-18-12/h3-4,6-10H,2,5H2,1H3,(H,19,20,21)
InChIKeyGRRXMATYMSDNGH-UHFFFAOYSA-N
XLogP4.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine
CID 80544634
6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine
CID 80939396
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820
6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine
CID 82748226
6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine
CID 80938347
2,6-dichloro-N-quinolin-5-ylquinolin-4-amine
CID 138392376
N-pyridin-2-ylquinolin-5-amine
CID 163837098
N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 80939572
N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine
CID 80936805
5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
CID 80747986
4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945819
N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107602346

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine?
The IUPAC name of N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine (CID 80939768) is N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine.
What is the SMILES notation for N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine?
The canonical SMILES for N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine is CCCc1nc(Cl)cc(Nc2cccc3ncccc23)n1.
What is the InChIKey of N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine?
The InChIKey is GRRXMATYMSDNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-2-5-15-20-14(17)10-16(21-15)19-13-8-3-7-12-11(13)6-4-9-18-12/h3-4,6-10H,2,5H2,1H3,(H,19,20,21).
What are the key properties of N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine?
N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine has a molecular weight of 298.78 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine is sourced from PubChem (CID 80939768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).