N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine

C11H12N4 — CID 83847968

IUPACN-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine
SMILESCNCc1cc(-c2cccnc2)ncn1
InChIInChI=1S/C11H12N4/c1-12-7-10-5-11(15-8-14-10)9-3-2-4-13-6-9/h2-6,8,12H,7H2,1H3
InChIKeyXDHDYFDFKPUMOB-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.26
Rot. Bonds3

About N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine

N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine (PubChem CID 83847968) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine
PubChem CID83847968
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC NameN-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine
SMILESCNCc1cc(-c2cccnc2)ncn1
InChIInChI=1S/C11H12N4/c1-12-7-10-5-11(15-8-14-10)9-3-2-4-13-6-9/h2-6,8,12H,7H2,1H3
InChIKeyXDHDYFDFKPUMOB-UHFFFAOYSA-N
XLogP1.26
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine?
The IUPAC name of N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine (CID 83847968) is N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine is CNCc1cc(-c2cccnc2)ncn1.
What is the InChIKey of N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine?
The InChIKey is XDHDYFDFKPUMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-12-7-10-5-11(15-8-14-10)9-3-2-4-13-6-9/h2-6,8,12H,7H2,1H3.
What are the key properties of N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine?
N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine has a molecular weight of 200.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 83847968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).