1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine

C15H19N3O — CID 62748534

IUPAC1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccncn1)c1ccc(OC)cc1
InChIInChI=1S/C15H19N3O/c1-3-15(12-4-6-14(19-2)7-5-12)17-10-13-8-9-16-11-18-13/h4-9,11,15,17H,3,10H2,1-2H3
InChIKeyLJGZRKZXFUDUFU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.73
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine

1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine (PubChem CID 62748534) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
PubChem CID62748534
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccncn1)c1ccc(OC)cc1
InChIInChI=1S/C15H19N3O/c1-3-15(12-4-6-14(19-2)7-5-12)17-10-13-8-9-16-11-18-13/h4-9,11,15,17H,3,10H2,1-2H3
InChIKeyLJGZRKZXFUDUFU-UHFFFAOYSA-N
XLogP2.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine 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-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62749243
1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62748905
(1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol
CID 6989288
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
1-(4-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206327
1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759306
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 103787067
1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 60776811
1-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 62997731
1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
CID 43499339
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 103912826
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine (CID 62748534) is 1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine is CCC(NCc1ccncn1)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The InChIKey is LJGZRKZXFUDUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-15(12-4-6-14(19-2)7-5-12)17-10-13-8-9-16-11-18-13/h4-9,11,15,17H,3,10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine?
1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 62748534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).