(2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C20H26N4O — CID 18120110

IUPAC(2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccccc3C)CC2)nc(C(C)C)n1
InChIInChI=1S/C20H26N4O/c1-14(2)19-21-16(4)13-18(22-19)23-9-11-24(12-10-23)20(25)17-8-6-5-7-15(17)3/h5-8,13-14H,9-12H2,1-4H3
InChIKeyVDOOTQOGYAFQLQ-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.18
Rot. Bonds3

About (2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 18120110) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID18120110
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccccc3C)CC2)nc(C(C)C)n1
InChIInChI=1S/C20H26N4O/c1-14(2)19-21-16(4)13-18(22-19)23-9-11-24(12-10-23)20(25)17-8-6-5-7-15(17)3/h5-8,13-14H,9-12H2,1-4H3
InChIKeyVDOOTQOGYAFQLQ-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone 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 (2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 18120110) is (2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)c3ccccc3C)CC2)nc(C(C)C)n1.
What is the InChIKey of (2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is VDOOTQOGYAFQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(2)19-21-16(4)13-18(22-19)23-9-11-24(12-10-23)20(25)17-8-6-5-7-15(17)3/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of (2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 338.46 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 18120110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).