N-methyl-1-(6-methyl-2-pyridin-3-yloxypyrimidin-4-yl)methanamine

C12H14N4O — CID 114221229

IUPACN-methyl-1-(6-methyl-2-pyridin-3-yloxypyrimidin-4-yl)methanamine
SMILESCNCc1cc(C)nc(Oc2cccnc2)n1
InChIInChI=1S/C12H14N4O/c1-9-6-10(7-13-2)16-12(15-9)17-11-4-3-5-14-8-11/h3-6,8,13H,7H2,1-2H3
InChIKeyAWHZYQYEXUUJLF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.69
Rot. Bonds4

About N-methyl-1-(6-methyl-2-pyridin-3-yloxypyrimidin-4-yl)methanamine

N-methyl-1-(6-methyl-2-pyridin-3-yloxypyrimidin-4-yl)methanamine (PubChem CID 114221229) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-2-pyridin-3-yloxypyrimidin-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-2-pyridin-3-yloxypyrimidin-4-yl)methanamine
PubChem CID114221229
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-methyl-1-(6-methyl-2-pyridin-3-yloxypyrimidin-4-yl)methanamine
SMILESCNCc1cc(C)nc(Oc2cccnc2)n1
InChIInChI=1S/C12H14N4O/c1-9-6-10(7-13-2)16-12(15-9)17-11-4-3-5-14-8-11/h3-6,8,13H,7H2,1-2H3
InChIKeyAWHZYQYEXUUJLF-UHFFFAOYSA-N
XLogP1.69
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-2-pyridin-3-yloxypyrimidin-4-yl)methanamine?
The IUPAC name of N-methyl-1-(6-methyl-2-pyridin-3-yloxypyrimidin-4-yl)methanamine (CID 114221229) is N-methyl-1-(6-methyl-2-pyridin-3-yloxypyrimidin-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(6-methyl-2-pyridin-3-yloxypyrimidin-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(6-methyl-2-pyridin-3-yloxypyrimidin-4-yl)methanamine is CNCc1cc(C)nc(Oc2cccnc2)n1.
What is the InChIKey of N-methyl-1-(6-methyl-2-pyridin-3-yloxypyrimidin-4-yl)methanamine?
The InChIKey is AWHZYQYEXUUJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9-6-10(7-13-2)16-12(15-9)17-11-4-3-5-14-8-11/h3-6,8,13H,7H2,1-2H3.
What are the key properties of N-methyl-1-(6-methyl-2-pyridin-3-yloxypyrimidin-4-yl)methanamine?
N-methyl-1-(6-methyl-2-pyridin-3-yloxypyrimidin-4-yl)methanamine has a molecular weight of 230.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-2-pyridin-3-yloxypyrimidin-4-yl)methanamine is sourced from PubChem (CID 114221229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).