3-(2-phenylpyrimidin-5-yl)propan-1-amine

C13H15N3 — CID 83886057

IUPAC3-(2-phenylpyrimidin-5-yl)propan-1-amine
SMILESNCCCc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C13H15N3/c14-8-4-5-11-9-15-13(16-10-11)12-6-2-1-3-7-12/h1-3,6-7,9-10H,4-5,8,14H2
InChIKeyLWNPETCAQHILCZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.03
Rot. Bonds4

About 3-(2-phenylpyrimidin-5-yl)propan-1-amine

3-(2-phenylpyrimidin-5-yl)propan-1-amine (PubChem CID 83886057) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(2-phenylpyrimidin-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-phenylpyrimidin-5-yl)propan-1-amine
PubChem CID83886057
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-(2-phenylpyrimidin-5-yl)propan-1-amine
SMILESNCCCc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C13H15N3/c14-8-4-5-11-9-15-13(16-10-11)12-6-2-1-3-7-12/h1-3,6-7,9-10H,4-5,8,14H2
InChIKeyLWNPETCAQHILCZ-UHFFFAOYSA-N
XLogP2.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-phenylpyrimidin-5-yl)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

5-pentadecyl-2-(4-phenylphenyl)pyrimidine
CID 140591488
5-hexyl-2-(4-phenylphenyl)pyrimidine
CID 21393178
4-[5-(4-phenylbutyl)pyrimidin-2-yl]phenol
CID 135841595
benzene;3-phenylpropan-1-amine
CID 174865683
2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine
CID 57330080
2-(4-methoxyphenyl)-5-(4-phenylbutyl)pyrimidine
CID 23361560
3-(3-phenylphenyl)propan-1-amine
CID 68886504
3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine
CID 28916529
4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
CID 91813375
2-(4-pentylphenyl)-5-phenylpyrimidine
CID 71339223
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine
CID 121405389

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpyrimidin-5-yl)propan-1-amine?
The IUPAC name of 3-(2-phenylpyrimidin-5-yl)propan-1-amine (CID 83886057) is 3-(2-phenylpyrimidin-5-yl)propan-1-amine.
What is the SMILES notation for 3-(2-phenylpyrimidin-5-yl)propan-1-amine?
The canonical SMILES for 3-(2-phenylpyrimidin-5-yl)propan-1-amine is NCCCc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 3-(2-phenylpyrimidin-5-yl)propan-1-amine?
The InChIKey is LWNPETCAQHILCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-8-4-5-11-9-15-13(16-10-11)12-6-2-1-3-7-12/h1-3,6-7,9-10H,4-5,8,14H2.
What are the key properties of 3-(2-phenylpyrimidin-5-yl)propan-1-amine?
3-(2-phenylpyrimidin-5-yl)propan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpyrimidin-5-yl)propan-1-amine is sourced from PubChem (CID 83886057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).