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

C15H19N3 — CID 62749243

IUPAC1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccncn1)c1ccc(C)cc1
InChIInChI=1S/C15H19N3/c1-3-15(13-6-4-12(2)5-7-13)17-10-14-8-9-16-11-18-14/h4-9,11,15,17H,3,10H2,1-2H3
InChIKeyZCZIUQNGRFRGET-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.03
Rot. Bonds5

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

1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine (PubChem CID 62749243) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
PubChem CID62749243
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccncn1)c1ccc(C)cc1
InChIInChI=1S/C15H19N3/c1-3-15(13-6-4-12(2)5-7-13)17-10-14-8-9-16-11-18-14/h4-9,11,15,17H,3,10H2,1-2H3
InChIKeyZCZIUQNGRFRGET-UHFFFAOYSA-N
XLogP3.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62748534
2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 114110617
(2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol
CID 104868735
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43714916
1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103786257
1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405927
N-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 62998625
1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62748905
ethyl 2-(pyrimidin-4-ylmethylamino)propanoate
CID 62749095
1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 43178454
1-[1-(4-methylphenyl)propylamino]butan-2-ol
CID 115899605

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine (CID 62749243) is 1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine is CCC(NCc1ccncn1)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The InChIKey is ZCZIUQNGRFRGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-15(13-6-4-12(2)5-7-13)17-10-14-8-9-16-11-18-14/h4-9,11,15,17H,3,10H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine?
1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 62749243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).