N-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine

C12H19N3O — CID 65333930

IUPACN-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine
SMILESCNCc1cc(C)nc(C2CCCOC2)n1
InChIInChI=1S/C12H19N3O/c1-9-6-11(7-13-2)15-12(14-9)10-4-3-5-16-8-10/h6,10,13H,3-5,7-8H2,1-2H3
InChIKeyJWSSSTJWVCUGDX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.40
Rot. Bonds3

About N-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine

N-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine (PubChem CID 65333930) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine
PubChem CID65333930
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine
SMILESCNCc1cc(C)nc(C2CCCOC2)n1
InChIInChI=1S/C12H19N3O/c1-9-6-11(7-13-2)15-12(14-9)10-4-3-5-16-8-10/h6,10,13H,3-5,7-8H2,1-2H3
InChIKeyJWSSSTJWVCUGDX-UHFFFAOYSA-N
XLogP1.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65333931
2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65333979
2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65334028
N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine
CID 63739311
N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
CID 65399678
N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 64986163
N-[(2-cyclooctyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 80609922
N-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine
CID 79969249
4,6-dichloro-2-(oxan-3-yl)pyrimidine
CID 63738240
6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 62315087
N-methyl-1-[6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-yl]methanamine
CID 79089279
N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65328783

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine (CID 65333930) is N-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine is CNCc1cc(C)nc(C2CCCOC2)n1.
What is the InChIKey of N-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine?
The InChIKey is JWSSSTJWVCUGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-6-11(7-13-2)15-12(14-9)10-4-3-5-16-8-10/h6,10,13H,3-5,7-8H2,1-2H3.
What are the key properties of N-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine?
N-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.40, 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-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 65333930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).