[2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone

C18H23N5O — CID 109253729

IUPAC[2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCc1ccccc1Nc1ncc(C(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C18H23N5O/c1-3-14-6-4-5-7-16(14)21-18-19-12-15(13-20-18)17(24)23-10-8-22(2)9-11-23/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,21)
InChIKeyQDCHBANAVBOKNE-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.17
Rot. Bonds4

About [2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone

[2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109253729) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is [2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109253729
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name[2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCc1ccccc1Nc1ncc(C(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C18H23N5O/c1-3-14-6-4-5-7-16(14)21-18-19-12-15(13-20-18)17(24)23-10-8-22(2)9-11-23/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,21)
InChIKeyQDCHBANAVBOKNE-UHFFFAOYSA-N
XLogP2.17
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-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

3,4-dihydro-1H-isoquinolin-2-yl-[2-(2-ethylanilino)pyrimidin-5-yl]methanone
CID 109259661
[2-(2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253755
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(2-ethylanilino)pyrimidin-5-yl]methanone
CID 109261589
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302276
ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 109261901
[2-(2-ethylanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109267409
[2-[2-(2-fluorophenyl)ethylamino]pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253672
N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109248917
azepan-1-yl-[2-(2-chloroanilino)pyrimidin-5-yl]methanone
CID 109264876
[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253752
4-[2-(2,3-dimethylanilino)pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254373
ethyl 4-[[2-(2-ethylanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 109261818

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone (CID 109253729) is [2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone is CCc1ccccc1Nc1ncc(C(=O)N2CCN(C)CC2)cn1.
What is the InChIKey of [2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is QDCHBANAVBOKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-14-6-4-5-7-16(14)21-18-19-12-15(13-20-18)17(24)23-10-8-22(2)9-11-23/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,21).
What are the key properties of [2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone?
[2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 325.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109253729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).