3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline

C16H19N3 — CID 116893570

IUPAC3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline
SMILESCNc1cccc(-c2nc(C)cc(C3CCC3)n2)c1
InChIInChI=1S/C16H19N3/c1-11-9-15(12-5-3-6-12)19-16(18-11)13-7-4-8-14(10-13)17-2/h4,7-10,12,17H,3,5-6H2,1-2H3
InChIKeyIXBRDDZJYKMCKW-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.76
Rot. Bonds3

About 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline

3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline (PubChem CID 116893570) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline.

Molecular Properties

Compound Name3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline
PubChem CID116893570
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline
SMILESCNc1cccc(-c2nc(C)cc(C3CCC3)n2)c1
InChIInChI=1S/C16H19N3/c1-11-9-15(12-5-3-6-12)19-16(18-11)13-7-4-8-14(10-13)17-2/h4,7-10,12,17H,3,5-6H2,1-2H3
InChIKeyIXBRDDZJYKMCKW-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline?
The IUPAC name of 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline (CID 116893570) is 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline.
What is the SMILES notation for 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline?
The canonical SMILES for 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline is CNc1cccc(-c2nc(C)cc(C3CCC3)n2)c1.
What is the InChIKey of 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline?
The InChIKey is IXBRDDZJYKMCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11-9-15(12-5-3-6-12)19-16(18-11)13-7-4-8-14(10-13)17-2/h4,7-10,12,17H,3,5-6H2,1-2H3.
What are the key properties of 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline?
3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline has a molecular weight of 253.35 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline is sourced from PubChem (CID 116893570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).