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

C15H19N3 — CID 82477603

IUPAC4-[2-(4,6-dimethylpyrimidin-2-yl)propyl]aniline
SMILESCc1cc(C)nc(C(C)Cc2ccc(N)cc2)n1
InChIInChI=1S/C15H19N3/c1-10(8-13-4-6-14(16)7-5-13)15-17-11(2)9-12(3)18-15/h4-7,9-10H,8,16H2,1-3H3
InChIKeyYKHGKHPKPUVGGU-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.02
Rot. Bonds3

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

4-[2-(4,6-dimethylpyrimidin-2-yl)propyl]aniline (PubChem CID 82477603) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-[2-(4,6-dimethylpyrimidin-2-yl)propyl]aniline.

Molecular Properties

Compound Name4-[2-(4,6-dimethylpyrimidin-2-yl)propyl]aniline
PubChem CID82477603
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-[2-(4,6-dimethylpyrimidin-2-yl)propyl]aniline
SMILESCc1cc(C)nc(C(C)Cc2ccc(N)cc2)n1
InChIInChI=1S/C15H19N3/c1-10(8-13-4-6-14(16)7-5-13)15-17-11(2)9-12(3)18-15/h4-7,9-10H,8,16H2,1-3H3
InChIKeyYKHGKHPKPUVGGU-UHFFFAOYSA-N
XLogP3.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.02
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-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline
CID 141439790
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]aniline
CID 55211161
4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline
CID 67706104
4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline
CID 82477601
4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)propyl]aniline
CID 82474591
4-(2,2-dimethoxyethyl)aniline
CID 18173527
(2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol
CID 67099559
3-methyl-6-(2-methylpropyl)isoquinolin-1-amine
CID 118508678
4-[(2R)-2-(3-aminophenyl)propyl]phenol
CID 174733885
(4R)-5-(4-aminophenyl)-4-methylpentanal
CID 90273765
2-(1-chloroethyl)-4,6-dimethylpyrimidine
CID 80655731
4-(2-nitropropyl)aniline
CID 14004210

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,6-dimethylpyrimidin-2-yl)propyl]aniline?
The IUPAC name of 4-[2-(4,6-dimethylpyrimidin-2-yl)propyl]aniline (CID 82477603) is 4-[2-(4,6-dimethylpyrimidin-2-yl)propyl]aniline.
What is the SMILES notation for 4-[2-(4,6-dimethylpyrimidin-2-yl)propyl]aniline?
The canonical SMILES for 4-[2-(4,6-dimethylpyrimidin-2-yl)propyl]aniline is Cc1cc(C)nc(C(C)Cc2ccc(N)cc2)n1.
What is the InChIKey of 4-[2-(4,6-dimethylpyrimidin-2-yl)propyl]aniline?
The InChIKey is YKHGKHPKPUVGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10(8-13-4-6-14(16)7-5-13)15-17-11(2)9-12(3)18-15/h4-7,9-10H,8,16H2,1-3H3.
What are the key properties of 4-[2-(4,6-dimethylpyrimidin-2-yl)propyl]aniline?
4-[2-(4,6-dimethylpyrimidin-2-yl)propyl]aniline has a molecular weight of 241.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,6-dimethylpyrimidin-2-yl)propyl]aniline is sourced from PubChem (CID 82477603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).