N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine

C12H19N3O — CID 115530813

IUPACN-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)n1)C1CCOC1
InChIInChI=1S/C12H19N3O/c1-3-13-12(10-5-7-16-8-10)11-4-6-14-9(2)15-11/h4,6,10,12-13H,3,5,7-8H2,1-2H3
InChIKeyHYMVWNJUDATQFD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.47
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine

N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine (PubChem CID 115530813) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine
PubChem CID115530813
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)n1)C1CCOC1
InChIInChI=1S/C12H19N3O/c1-3-13-12(10-5-7-16-8-10)11-4-6-14-9(2)15-11/h4,6,10,12-13H,3,5,7-8H2,1-2H3
InChIKeyHYMVWNJUDATQFD-UHFFFAOYSA-N
XLogP1.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine 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

N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107136775
N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine
CID 63565313
N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine
CID 63565130
N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563797
N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 82932311
N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139268
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276509
N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138881
N-[(2,3-difluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 65330309
N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276511
N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276557

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine (CID 115530813) is N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine is CCNC(c1ccnc(C)n1)C1CCOC1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine?
The InChIKey is HYMVWNJUDATQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-13-12(10-5-7-16-8-10)11-4-6-14-9(2)15-11/h4,6,10,12-13H,3,5,7-8H2,1-2H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine?
N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 115530813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).