4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline

C15H19N3 — CID 82477601

IUPAC4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline
SMILESCc1cc(C)nc(CCCc2ccc(N)cc2)n1
InChIInChI=1S/C15H19N3/c1-11-10-12(2)18-15(17-11)5-3-4-13-6-8-14(16)9-7-13/h6-10H,3-5,16H2,1-2H3
InChIKeyWESSMKNVGRBMMO-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.85
Rot. Bonds4

About 4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline

4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline (PubChem CID 82477601) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline.

Molecular Properties

Compound Name4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline
PubChem CID82477601
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline
SMILESCc1cc(C)nc(CCCc2ccc(N)cc2)n1
InChIInChI=1S/C15H19N3/c1-11-10-12(2)18-15(17-11)5-3-4-13-6-8-14(16)9-7-13/h6-10H,3-5,16H2,1-2H3
InChIKeyWESSMKNVGRBMMO-UHFFFAOYSA-N
XLogP2.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.85
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'}

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Related Compounds

4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]-3-methylphenyl]propyl]-2-methylphenyl]ethyl]aniline
CID 139903339
4-[3-(6-methylpyrimidin-4-yl)propyl]aniline
CID 82473758
4-[3-(4-propan-2-ylpyrimidin-2-yl)propyl]aniline
CID 96664622
2-chloro-5-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]aniline
CID 82485385
4-[3-(1,2,4-benzotriazin-3-yl)propyl]aniline
CID 82486367
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]aniline
CID 55211161
4-[2-(4,6-dimethylpyrimidin-2-yl)propyl]aniline
CID 82477603
2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 95464263
4-hexadecylaniline
CID 571906
4-dodecylaniline;nonadecane
CID 155059812
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
4-(3-chloropropyl)aniline
CID 11805171

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline?
The IUPAC name of 4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline (CID 82477601) is 4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline.
What is the SMILES notation for 4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline?
The canonical SMILES for 4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline is Cc1cc(C)nc(CCCc2ccc(N)cc2)n1.
What is the InChIKey of 4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline?
The InChIKey is WESSMKNVGRBMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-10-12(2)18-15(17-11)5-3-4-13-6-8-14(16)9-7-13/h6-10H,3-5,16H2,1-2H3.
What are the key properties of 4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline?
4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline has a molecular weight of 241.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline is sourced from PubChem (CID 82477601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).