6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine

C16H15ClN4 — CID 135381034

IUPAC6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine
SMILESCc1cc2ncccc2cc1CCNc1cc(Cl)ncn1
InChIInChI=1S/C16H15ClN4/c1-11-7-14-13(3-2-5-18-14)8-12(11)4-6-19-16-9-15(17)20-10-21-16/h2-3,5,7-10H,4,6H2,1H3,(H,19,20,21)
InChIKeyPRANLJXSNIYRIA-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.64
Rot. Bonds4

About 6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine

6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine (PubChem CID 135381034) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine
PubChem CID135381034
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine
SMILESCc1cc2ncccc2cc1CCNc1cc(Cl)ncn1
InChIInChI=1S/C16H15ClN4/c1-11-7-14-13(3-2-5-18-14)8-12(11)4-6-19-16-9-15(17)20-10-21-16/h2-3,5,7-10H,4,6H2,1H3,(H,19,20,21)
InChIKeyPRANLJXSNIYRIA-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine
CID 135380861
tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate
CID 142472999
3-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]-1-fluoronaphthalen-2-ol
CID 135382034
6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine
CID 135381983
6-chloro-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]pyrimidin-4-amine
CID 142472983
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine
CID 135380668
N-[2-(2,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 133299032
6-chloro-N-[2-[2-(difluoromethyl)naphthalen-1-yl]ethyl]pyrimidin-4-amine
CID 135380086
6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine
CID 135380074
6-chloro-N-[2-(4-nitrophenyl)ethyl]pyrimidin-4-amine
CID 114156623
N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60726185

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine (CID 135381034) is 6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine is Cc1cc2ncccc2cc1CCNc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine?
The InChIKey is PRANLJXSNIYRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-11-7-14-13(3-2-5-18-14)8-12(11)4-6-19-16-9-15(17)20-10-21-16/h2-3,5,7-10H,4,6H2,1H3,(H,19,20,21).
What are the key properties of 6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine?
6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine has a molecular weight of 298.78 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(7-methylquinolin-6-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 135381034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).