(3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone

C20H27N5O — CID 56699965

IUPAC(3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCNc1nc(C)cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-5-21-20-22-16(4)13-18(23-20)24-8-10-25(11-9-24)19(26)17-7-6-14(2)15(3)12-17/h6-7,12-13H,5,8-11H2,1-4H3,(H,21,22,23)
InChIKeyUIPCTWLNFAIVSW-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.80
Rot. Bonds4

About (3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone

(3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 56699965) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID56699965
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCNc1nc(C)cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-5-21-20-22-16(4)13-18(23-20)24-8-10-25(11-9-24)19(26)17-7-6-14(2)15(3)12-17/h6-7,12-13H,5,8-11H2,1-4H3,(H,21,22,23)
InChIKeyUIPCTWLNFAIVSW-UHFFFAOYSA-N
XLogP2.80
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-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 (3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone (CID 56699965) is (3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone is CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)n1.
What is the InChIKey of (3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is UIPCTWLNFAIVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-5-21-20-22-16(4)13-18(23-20)24-8-10-25(11-9-24)19(26)17-7-6-14(2)15(3)12-17/h6-7,12-13H,5,8-11H2,1-4H3,(H,21,22,23).
What are the key properties of (3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 56699965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).