2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine

C12H19N3O — CID 83822644

IUPAC2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine
SMILESCc1ncc(C2(CCN)CCCOC2)cn1
InChIInChI=1S/C12H19N3O/c1-10-14-7-11(8-15-10)12(4-5-13)3-2-6-16-9-12/h7-8H,2-6,9,13H2,1H3
InChIKeyMGEMPBKVVANESH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.18
Rot. Bonds3

About 2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine

2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine (PubChem CID 83822644) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine
PubChem CID83822644
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine
SMILESCc1ncc(C2(CCN)CCCOC2)cn1
InChIInChI=1S/C12H19N3O/c1-10-14-7-11(8-15-10)12(4-5-13)3-2-6-16-9-12/h7-8H,2-6,9,13H2,1H3
InChIKeyMGEMPBKVVANESH-UHFFFAOYSA-N
XLogP1.18
TPSA61.03 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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]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

2-(3-phenyloxan-3-yl)ethanamine
CID 83819944
2-[4-(6-methyl-3-pyridinyl)oxan-4-yl]ethanamine
CID 83822430
[3-(2-methylpyrimidin-5-yl)thian-3-yl]methanamine
CID 83823095
[3-(4-bromophenyl)oxan-3-yl]methanamine
CID 83826005
2-(3-tert-butyloxan-3-yl)ethanamine
CID 83817500
2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine
CID 83824748
1-(2-methylpyrimidin-5-yl)cyclopropan-1-amine
CID 82417542
3-(2-aminoethyl)oxan-3-ol
CID 79123930
1-[4-(2-methylpyrimidin-5-yl)oxan-4-yl]ethanamine
CID 86716218
2-[1-(4-methylphenyl)cyclohexyl]ethanamine
CID 82079127
3-(5-methyl-3-pyridinyl)oxan-3-amine
CID 115373854
(3-phenyloxan-3-yl)methanol
CID 168870348

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine?
The IUPAC name of 2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine (CID 83822644) is 2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine?
The canonical SMILES for 2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine is Cc1ncc(C2(CCN)CCCOC2)cn1.
What is the InChIKey of 2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine?
The InChIKey is MGEMPBKVVANESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-14-7-11(8-15-10)12(4-5-13)3-2-6-16-9-12/h7-8H,2-6,9,13H2,1H3.
What are the key properties of 2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine?
2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpyrimidin-5-yl)oxan-3-yl]ethanamine is sourced from PubChem (CID 83822644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).