3-(2-pyrimidin-4-ylpropan-2-yl)aniline

C13H15N3 — CID 112714029

IUPAC3-(2-pyrimidin-4-ylpropan-2-yl)aniline
SMILESCC(C)(c1cccc(N)c1)c1ccncn1
InChIInChI=1S/C13H15N3/c1-13(2,12-6-7-15-9-16-12)10-4-3-5-11(14)8-10/h3-9H,14H2,1-2H3
InChIKeyKIQFCHZOBPILAF-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.38
Rot. Bonds2

About 3-(2-pyrimidin-4-ylpropan-2-yl)aniline

3-(2-pyrimidin-4-ylpropan-2-yl)aniline (PubChem CID 112714029) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(2-pyrimidin-4-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name3-(2-pyrimidin-4-ylpropan-2-yl)aniline
PubChem CID112714029
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-(2-pyrimidin-4-ylpropan-2-yl)aniline
SMILESCC(C)(c1cccc(N)c1)c1ccncn1
InChIInChI=1S/C13H15N3/c1-13(2,12-6-7-15-9-16-12)10-4-3-5-11(14)8-10/h3-9H,14H2,1-2H3
InChIKeyKIQFCHZOBPILAF-UHFFFAOYSA-N
XLogP2.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-pyrimidin-4-ylpropan-2-yl)aniline 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

4-(2-pyrimidin-4-ylpropan-2-yl)phenol
CID 112714060
3-tert-butylaniline;hydrobromide
CID 155928054
3-tert-butylaniline;tert-butylbenzene
CID 158494400
2-[2-(3-methylphenyl)propan-2-yl]pyridine
CID 130252856
4-(2-methylbutan-2-yl)pyrimidine
CID 118043588
(3-aminophenyl)methanetriamine
CID 175509279
3-(1-fluoro-2-methylpropan-2-yl)aniline
CID 105433528
2-methyl-2-pyrimidin-4-ylpropanenitrile
CID 130544390
3-[(2R)-2-aminobutan-2-yl]aniline
CID 131128672
N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine
CID 61253794
4-(3-tert-butylphenyl)sulfanylpyrimidine
CID 165347184
methylphosphane;4-(trifluoromethyl)pyrimidine
CID 143699772

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrimidin-4-ylpropan-2-yl)aniline?
The IUPAC name of 3-(2-pyrimidin-4-ylpropan-2-yl)aniline (CID 112714029) is 3-(2-pyrimidin-4-ylpropan-2-yl)aniline.
What is the SMILES notation for 3-(2-pyrimidin-4-ylpropan-2-yl)aniline?
The canonical SMILES for 3-(2-pyrimidin-4-ylpropan-2-yl)aniline is CC(C)(c1cccc(N)c1)c1ccncn1.
What is the InChIKey of 3-(2-pyrimidin-4-ylpropan-2-yl)aniline?
The InChIKey is KIQFCHZOBPILAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-13(2,12-6-7-15-9-16-12)10-4-3-5-11(14)8-10/h3-9H,14H2,1-2H3.
What are the key properties of 3-(2-pyrimidin-4-ylpropan-2-yl)aniline?
3-(2-pyrimidin-4-ylpropan-2-yl)aniline has a molecular weight of 213.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrimidin-4-ylpropan-2-yl)aniline is sourced from PubChem (CID 112714029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).