2-(2-methylquinolin-4-yl)pyrimidin-4-amine

C14H12N4 — CID 79234702

IUPAC2-(2-methylquinolin-4-yl)pyrimidin-4-amine
SMILESCc1cc(-c2nccc(N)n2)c2ccccc2n1
InChIInChI=1S/C14H12N4/c1-9-8-11(14-16-7-6-13(15)18-14)10-4-2-3-5-12(10)17-9/h2-8H,1H3,(H2,15,16,18)
InChIKeyYKHRLJXXLPWMRH-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.58
Rot. Bonds1

About 2-(2-methylquinolin-4-yl)pyrimidin-4-amine

2-(2-methylquinolin-4-yl)pyrimidin-4-amine (PubChem CID 79234702) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(2-methylquinolin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methylquinolin-4-yl)pyrimidin-4-amine
PubChem CID79234702
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-(2-methylquinolin-4-yl)pyrimidin-4-amine
SMILESCc1cc(-c2nccc(N)n2)c2ccccc2n1
InChIInChI=1S/C14H12N4/c1-9-8-11(14-16-7-6-13(15)18-14)10-4-2-3-5-12(10)17-9/h2-8H,1H3,(H2,15,16,18)
InChIKeyYKHRLJXXLPWMRH-UHFFFAOYSA-N
XLogP2.58
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(2-methylquinolin-4-yl)pyrimidin-4-amine (CID 79234702) is 2-(2-methylquinolin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methylquinolin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-methylquinolin-4-yl)pyrimidin-4-amine is Cc1cc(-c2nccc(N)n2)c2ccccc2n1.
What is the InChIKey of 2-(2-methylquinolin-4-yl)pyrimidin-4-amine?
The InChIKey is YKHRLJXXLPWMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-9-8-11(14-16-7-6-13(15)18-14)10-4-2-3-5-12(10)17-9/h2-8H,1H3,(H2,15,16,18).
What are the key properties of 2-(2-methylquinolin-4-yl)pyrimidin-4-amine?
2-(2-methylquinolin-4-yl)pyrimidin-4-amine has a molecular weight of 236.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 79234702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).