2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine

C13H15N3O — CID 62600114

IUPAC2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine
SMILESCOc1cccc(CC(N)c2ncccn2)c1
InChIInChI=1S/C13H15N3O/c1-17-11-5-2-4-10(8-11)9-12(14)13-15-6-3-7-16-13/h2-8,12H,9,14H2,1H3
InChIKeyZFOVYRUQZVJCHC-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.73
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine

2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine (PubChem CID 62600114) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine
PubChem CID62600114
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine
SMILESCOc1cccc(CC(N)c2ncccn2)c1
InChIInChI=1S/C13H15N3O/c1-17-11-5-2-4-10(8-11)9-12(14)13-15-6-3-7-16-13/h2-8,12H,9,14H2,1H3
InChIKeyZFOVYRUQZVJCHC-UHFFFAOYSA-N
XLogP1.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine 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

(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
1-(3-methoxyphenyl)-3-pyridin-2-ylpropan-2-amine
CID 62600294
2-(3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155644
2-(3-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43110626
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 105030849
N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62601372
2-(3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43197699
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
2-(3-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43095852

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine (CID 62600114) is 2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine is COc1cccc(CC(N)c2ncccn2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine?
The InChIKey is ZFOVYRUQZVJCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-11-5-2-4-10(8-11)9-12(14)13-15-6-3-7-16-13/h2-8,12H,9,14H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine?
2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine has a molecular weight of 229.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 62600114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).