3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline

C14H17N3 — CID 55205286

IUPAC3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline
SMILESCc1cc(C(C)C)nc(-c2cccc(N)c2)n1
InChIInChI=1S/C14H17N3/c1-9(2)13-7-10(3)16-14(17-13)11-5-4-6-12(15)8-11/h4-9H,15H2,1-3H3
InChIKeyNPMZVQJVWROXIF-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.16
Rot. Bonds2

About 3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline

3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline (PubChem CID 55205286) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline.

Molecular Properties

Compound Name3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline
PubChem CID55205286
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline
SMILESCc1cc(C(C)C)nc(-c2cccc(N)c2)n1
InChIInChI=1S/C14H17N3/c1-9(2)13-7-10(3)16-14(17-13)11-5-4-6-12(15)8-11/h4-9H,15H2,1-3H3
InChIKeyNPMZVQJVWROXIF-UHFFFAOYSA-N
XLogP3.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62191035
3-(4,6-diethylpyrimidin-2-yl)aniline
CID 55205096
2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine
CID 115528416
2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine
CID 82482372
3-(5-propan-2-ylpyrimidin-2-yl)aniline
CID 105466920
4-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]aniline
CID 165438930
2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine
CID 113329089
N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62190394
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
3-(6-methylpyridazin-3-yl)aniline
CID 69120674
3-(4-propan-2-ylphenyl)aniline
CID 28911760
2-phenyl-6-propan-2-ylpyridin-4-amine
CID 155682169

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline?
The IUPAC name of 3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline (CID 55205286) is 3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline.
What is the SMILES notation for 3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline?
The canonical SMILES for 3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline is Cc1cc(C(C)C)nc(-c2cccc(N)c2)n1.
What is the InChIKey of 3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline?
The InChIKey is NPMZVQJVWROXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9(2)13-7-10(3)16-14(17-13)11-5-4-6-12(15)8-11/h4-9H,15H2,1-3H3.
What are the key properties of 3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline?
3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline has a molecular weight of 227.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline is sourced from PubChem (CID 55205286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).