N-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine

C12H19N3O2 — CID 83189883

IUPACN-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(OCC2CCCO2)nc1C
InChIInChI=1S/C12H19N3O2/c1-9-10(6-13-2)7-14-12(15-9)17-8-11-4-3-5-16-11/h7,11,13H,3-6,8H2,1-2H3
InChIKeyVSFWOISFRWKBDE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.06
Rot. Bonds5

About N-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine

N-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine (PubChem CID 83189883) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine
PubChem CID83189883
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(OCC2CCCO2)nc1C
InChIInChI=1S/C12H19N3O2/c1-9-10(6-13-2)7-14-12(15-9)17-8-11-4-3-5-16-11/h7,11,13H,3-6,8H2,1-2H3
InChIKeyVSFWOISFRWKBDE-UHFFFAOYSA-N
XLogP1.06
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclopentyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189730
1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 106205527
N-methyl-1-[6-methyl-4-(oxan-2-ylmethoxy)-3-pyridinyl]methanamine
CID 81255345
1-[2-(2-cyclopropylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 106205327
1-(2-cyclohexyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189189
N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine
CID 83188969
N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine
CID 83188779
N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine
CID 106777267
6-methyl-2-(oxan-2-ylmethoxy)furo[2,3-d]pyrimidine
CID 142960191
N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 83186691
N-methyl-1-[5-(oxan-2-ylmethoxy)pyrazin-2-yl]methanamine
CID 107381389
N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine
CID 83188748

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine (CID 83189883) is N-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine is CNCc1cnc(OCC2CCCO2)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine?
The InChIKey is VSFWOISFRWKBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-10(6-13-2)7-14-12(15-9)17-8-11-4-3-5-16-11/h7,11,13H,3-6,8H2,1-2H3.
What are the key properties of N-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).