3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine

C17H23N3 — CID 116893087

IUPAC3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine
SMILESCc1cc(-c2ccccc2C)nc(C(C)(C)CCN)n1
InChIInChI=1S/C17H23N3/c1-12-7-5-6-8-14(12)15-11-13(2)19-16(20-15)17(3,4)9-10-18/h5-8,11H,9-10,18H2,1-4H3
InChIKeyBIZGSRTZBNZTJG-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.39
Rot. Bonds4

About 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine

3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine (PubChem CID 116893087) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine
PubChem CID116893087
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine
SMILESCc1cc(-c2ccccc2C)nc(C(C)(C)CCN)n1
InChIInChI=1S/C17H23N3/c1-12-7-5-6-8-14(12)15-11-13(2)19-16(20-15)17(3,4)9-10-18/h5-8,11H,9-10,18H2,1-4H3
InChIKeyBIZGSRTZBNZTJG-UHFFFAOYSA-N
XLogP3.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-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-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine?
The IUPAC name of 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine (CID 116893087) is 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine?
The canonical SMILES for 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine is Cc1cc(-c2ccccc2C)nc(C(C)(C)CCN)n1.
What is the InChIKey of 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine?
The InChIKey is BIZGSRTZBNZTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-7-5-6-8-14(12)15-11-13(2)19-16(20-15)17(3,4)9-10-18/h5-8,11H,9-10,18H2,1-4H3.
What are the key properties of 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine?
3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine is sourced from PubChem (CID 116893087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).