N-methyl-6-quinolin-2-ylpyrimidin-4-amine

C14H12N4 — CID 116645319

IUPACN-methyl-6-quinolin-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2ccc3ccccc3n2)ncn1
InChIInChI=1S/C14H12N4/c1-15-14-8-13(16-9-17-14)12-7-6-10-4-2-3-5-11(10)18-12/h2-9H,1H3,(H,15,16,17)
InChIKeyWRZVMNUJPLLILB-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.73
Rot. Bonds2

About N-methyl-6-quinolin-2-ylpyrimidin-4-amine

N-methyl-6-quinolin-2-ylpyrimidin-4-amine (PubChem CID 116645319) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-methyl-6-quinolin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-quinolin-2-ylpyrimidin-4-amine
PubChem CID116645319
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC NameN-methyl-6-quinolin-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2ccc3ccccc3n2)ncn1
InChIInChI=1S/C14H12N4/c1-15-14-8-13(16-9-17-14)12-7-6-10-4-2-3-5-11(10)18-12/h2-9H,1H3,(H,15,16,17)
InChIKeyWRZVMNUJPLLILB-UHFFFAOYSA-N
XLogP2.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-quinolin-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-quinolin-2-ylpyrimidin-4-amine (CID 116645319) is N-methyl-6-quinolin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-quinolin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-quinolin-2-ylpyrimidin-4-amine is CNc1cc(-c2ccc3ccccc3n2)ncn1.
What is the InChIKey of N-methyl-6-quinolin-2-ylpyrimidin-4-amine?
The InChIKey is WRZVMNUJPLLILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-15-14-8-13(16-9-17-14)12-7-6-10-4-2-3-5-11(10)18-12/h2-9H,1H3,(H,15,16,17).
What are the key properties of N-methyl-6-quinolin-2-ylpyrimidin-4-amine?
N-methyl-6-quinolin-2-ylpyrimidin-4-amine has a molecular weight of 236.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-quinolin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 116645319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).