3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine

C16H19N3 — CID 116899155

IUPAC3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine
SMILESCc1ccc(C)c(-c2ccnc(C3CC(N)C3)n2)c1
InChIInChI=1S/C16H19N3/c1-10-3-4-11(2)14(7-10)15-5-6-18-16(19-15)12-8-13(17)9-12/h3-7,12-13H,8-9,17H2,1-2H3
InChIKeyYGAORWGALHEDFX-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.97
Rot. Bonds2

About 3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine

3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine (PubChem CID 116899155) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine
PubChem CID116899155
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine
SMILESCc1ccc(C)c(-c2ccnc(C3CC(N)C3)n2)c1
InChIInChI=1S/C16H19N3/c1-10-3-4-11(2)14(7-10)15-5-6-18-16(19-15)12-8-13(17)9-12/h3-7,12-13H,8-9,17H2,1-2H3
InChIKeyYGAORWGALHEDFX-UHFFFAOYSA-N
XLogP2.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine (CID 116899155) is 3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine is Cc1ccc(C)c(-c2ccnc(C3CC(N)C3)n2)c1.
What is the InChIKey of 3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine?
The InChIKey is YGAORWGALHEDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-10-3-4-11(2)14(7-10)15-5-6-18-16(19-15)12-8-13(17)9-12/h3-7,12-13H,8-9,17H2,1-2H3.
What are the key properties of 3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine?
3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 116899155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).