(2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C21H27N5O — CID 70702764

IUPAC(2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)c(C)c1
InChIInChI=1S/C21H27N5O/c1-16-5-6-18(17(2)13-16)21(27)26-11-9-25(10-12-26)20-14-19(22-15-23-20)24-7-3-4-8-24/h5-6,13-15H,3-4,7-12H2,1-2H3
InChIKeyPUWVKPDYIOHCOR-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.66
Rot. Bonds3

About (2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 70702764) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID70702764
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name(2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)c(C)c1
InChIInChI=1S/C21H27N5O/c1-16-5-6-18(17(2)13-16)21(27)26-11-9-25(10-12-26)20-14-19(22-15-23-20)24-7-3-4-8-24/h5-6,13-15H,3-4,7-12H2,1-2H3
InChIKeyPUWVKPDYIOHCOR-UHFFFAOYSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-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

Related Compounds

(2,4-dimethylphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699055
(2,4-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053795
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
(3-methoxy-4-methylphenyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 133297540
(2,5-dimethylphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699516
(2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053805
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
(2-methylphenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70704010
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342965
6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile
CID 143982857
2,4-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543966

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 70702764) is (2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is PUWVKPDYIOHCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16-5-6-18(17(2)13-16)21(27)26-11-9-25(10-12-26)20-14-19(22-15-23-20)24-7-3-4-8-24/h5-6,13-15H,3-4,7-12H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 365.48 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 70702764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).