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

C14H12N4 — CID 114755416

IUPAC2-(4-methylquinolin-2-yl)pyrimidin-4-amine
SMILESCc1cc(-c2nccc(N)n2)nc2ccccc12
InChIInChI=1S/C14H12N4/c1-9-8-12(14-16-7-6-13(15)18-14)17-11-5-3-2-4-10(9)11/h2-8H,1H3,(H2,15,16,18)
InChIKeyHJQPNHCEFRHSNA-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.58
Rot. Bonds1

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

2-(4-methylquinolin-2-yl)pyrimidin-4-amine (PubChem CID 114755416) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(4-methylquinolin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylquinolin-2-yl)pyrimidin-4-amine
PubChem CID114755416
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-(4-methylquinolin-2-yl)pyrimidin-4-amine
SMILESCc1cc(-c2nccc(N)n2)nc2ccccc12
InChIInChI=1S/C14H12N4/c1-9-8-12(14-16-7-6-13(15)18-14)17-11-5-3-2-4-10(9)11/h2-8H,1H3,(H2,15,16,18)
InChIKeyHJQPNHCEFRHSNA-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-(4-methylquinolin-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-(4-methylquinolin-2-yl)pyrimidin-4-amine (CID 114755416) is 2-(4-methylquinolin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylquinolin-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylquinolin-2-yl)pyrimidin-4-amine is Cc1cc(-c2nccc(N)n2)nc2ccccc12.
What is the InChIKey of 2-(4-methylquinolin-2-yl)pyrimidin-4-amine?
The InChIKey is HJQPNHCEFRHSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-9-8-12(14-16-7-6-13(15)18-14)17-11-5-3-2-4-10(9)11/h2-8H,1H3,(H2,15,16,18).
What are the key properties of 2-(4-methylquinolin-2-yl)pyrimidin-4-amine?
2-(4-methylquinolin-2-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-(4-methylquinolin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 114755416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).