4-[3-(6-methylpyrimidin-4-yl)propyl]aniline

C14H17N3 — CID 82473758

IUPAC4-[3-(6-methylpyrimidin-4-yl)propyl]aniline
SMILESCc1cc(CCCc2ccc(N)cc2)ncn1
InChIInChI=1S/C14H17N3/c1-11-9-14(17-10-16-11)4-2-3-12-5-7-13(15)8-6-12/h5-10H,2-4,15H2,1H3
InChIKeyYJRDFQUGXGAOBK-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.54
Rot. Bonds4

About 4-[3-(6-methylpyrimidin-4-yl)propyl]aniline

4-[3-(6-methylpyrimidin-4-yl)propyl]aniline (PubChem CID 82473758) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[3-(6-methylpyrimidin-4-yl)propyl]aniline.

Molecular Properties

Compound Name4-[3-(6-methylpyrimidin-4-yl)propyl]aniline
PubChem CID82473758
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-[3-(6-methylpyrimidin-4-yl)propyl]aniline
SMILESCc1cc(CCCc2ccc(N)cc2)ncn1
InChIInChI=1S/C14H17N3/c1-11-9-14(17-10-16-11)4-2-3-12-5-7-13(15)8-6-12/h5-10H,2-4,15H2,1H3
InChIKeyYJRDFQUGXGAOBK-UHFFFAOYSA-N
XLogP2.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3-(6-methylpyrimidin-4-yl)propyl]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

3-[2-(6-methylpyrimidin-4-yl)ethyl]aniline
CID 82471038
4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline
CID 82477601
3-[(6-methylpyrimidin-4-yl)methyl]aniline
CID 82469362
4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]-3-methylphenyl]propyl]-2-methylphenyl]ethyl]aniline
CID 139903339
4-(3-chloropropyl)aniline
CID 11805171
4-methyl-6-(3,3,3-trifluoropropyl)pyrimidine
CID 138628573
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 62502673
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
4-[2-(5-methyl-2-pyridinyl)ethyl]aniline
CID 10013428
4-methyl-6-(methylsulfonylmethyl)pyrimidine
CID 126996116

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methylpyrimidin-4-yl)propyl]aniline?
The IUPAC name of 4-[3-(6-methylpyrimidin-4-yl)propyl]aniline (CID 82473758) is 4-[3-(6-methylpyrimidin-4-yl)propyl]aniline.
What is the SMILES notation for 4-[3-(6-methylpyrimidin-4-yl)propyl]aniline?
The canonical SMILES for 4-[3-(6-methylpyrimidin-4-yl)propyl]aniline is Cc1cc(CCCc2ccc(N)cc2)ncn1.
What is the InChIKey of 4-[3-(6-methylpyrimidin-4-yl)propyl]aniline?
The InChIKey is YJRDFQUGXGAOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-9-14(17-10-16-11)4-2-3-12-5-7-13(15)8-6-12/h5-10H,2-4,15H2,1H3.
What are the key properties of 4-[3-(6-methylpyrimidin-4-yl)propyl]aniline?
4-[3-(6-methylpyrimidin-4-yl)propyl]aniline has a molecular weight of 227.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methylpyrimidin-4-yl)propyl]aniline is sourced from PubChem (CID 82473758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).