3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine

C15H19N3 — CID 55152743

IUPAC3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine
SMILESCC(CCNCc1ccncn1)c1ccccc1
InChIInChI=1S/C15H19N3/c1-13(14-5-3-2-4-6-14)7-9-16-11-15-8-10-17-12-18-15/h2-6,8,10,12-13,16H,7,9,11H2,1H3
InChIKeyNRVLDFGMYIGUIR-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.76
Rot. Bonds6

About 3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine

3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine (PubChem CID 55152743) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine
PubChem CID55152743
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine
SMILESCC(CCNCc1ccncn1)c1ccccc1
InChIInChI=1S/C15H19N3/c1-13(14-5-3-2-4-6-14)7-9-16-11-15-8-10-17-12-18-15/h2-6,8,10,12-13,16H,7,9,11H2,1H3
InChIKeyNRVLDFGMYIGUIR-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-phenyl-N-(pyrimidin-4-ylmethyl)butan-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

N-(3-phenylbutyl)pyrimidin-4-amine
CID 55152180
3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 55152744
N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine
CID 62848270
4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine
CID 62760223
2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 114110617
2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62759109
2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 79763577
2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid
CID 62749098
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide
CID 62760578
N-[(1-tert-butyltriazol-4-yl)methyl]-3-phenylbutan-1-amine
CID 103399083
3-(2-methylpropoxy)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62760233

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine?
The IUPAC name of 3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine (CID 55152743) is 3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine.
What is the SMILES notation for 3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine?
The canonical SMILES for 3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine is CC(CCNCc1ccncn1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine?
The InChIKey is NRVLDFGMYIGUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-13(14-5-3-2-4-6-14)7-9-16-11-15-8-10-17-12-18-15/h2-6,8,10,12-13,16H,7,9,11H2,1H3.
What are the key properties of 3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine?
3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 55152743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).