1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine

C13H21N3O — CID 106205527

IUPAC1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(OCCC2CCC2)nc1C
InChIInChI=1S/C13H21N3O/c1-10-12(8-14-2)9-15-13(16-10)17-7-6-11-4-3-5-11/h9,11,14H,3-8H2,1-2H3
InChIKeyCCIARUMNJDFXBA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.07
Rot. Bonds6

About 1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine

1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 106205527) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID106205527
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(OCCC2CCC2)nc1C
InChIInChI=1S/C13H21N3O/c1-10-12(8-14-2)9-15-13(16-10)17-7-6-11-4-3-5-11/h9,11,14H,3-8H2,1-2H3
InChIKeyCCIARUMNJDFXBA-UHFFFAOYSA-N
XLogP2.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-cyclopropylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 106205327
1-(2-cyclopentyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189730
1-(2-cyclohexyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189189
N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine
CID 83188748
N-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine
CID 83189883
N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine
CID 83189501
N-[[2-(cyclohexylmethoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 83186691
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-(cyclohexylmethyl)-N,4-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 83186072
[2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189535
N-[[6-(2-cyclobutylethoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 106205525

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine (CID 106205527) is 1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(OCCC2CCC2)nc1C.
What is the InChIKey of 1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is CCIARUMNJDFXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-12(8-14-2)9-15-13(16-10)17-7-6-11-4-3-5-11/h9,11,14H,3-8H2,1-2H3.
What are the key properties of 1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 106205527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).