(2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H24N4O3 — CID 6469090

IUPAC(2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ncccn3)CC2)c(OCC)c1
InChIInChI=1S/C19H24N4O3/c1-3-25-15-6-7-16(17(14-15)26-4-2)18(24)22-10-12-23(13-11-22)19-20-8-5-9-21-19/h5-9,14H,3-4,10-13H2,1-2H3
InChIKeyRWNUIRFPINBRPI-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.24
Rot. Bonds6

About (2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 6469090) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID6469090
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ncccn3)CC2)c(OCC)c1
InChIInChI=1S/C19H24N4O3/c1-3-25-15-6-7-16(17(14-15)26-4-2)18(24)22-10-12-23(13-11-22)19-20-8-5-9-21-19/h5-9,14H,3-4,10-13H2,1-2H3
InChIKeyRWNUIRFPINBRPI-UHFFFAOYSA-N
XLogP2.24
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-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-ethoxynaphthalen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17458593
(4-ethoxy-2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110761665
2-(4-ethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17249493
1-(2,4-diethoxybenzoyl)piperidine-4-carbohydrazide
CID 54794152
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 9243282
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
(2-hydroxy-3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 112789368
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
[4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 68801751
N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 131913533
(5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17249502

Frequently Asked Questions

What is the IUPAC name of (2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 6469090) is (2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CCOc1ccc(C(=O)N2CCN(c3ncccn3)CC2)c(OCC)c1.
What is the InChIKey of (2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is RWNUIRFPINBRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-25-15-6-7-16(17(14-15)26-4-2)18(24)22-10-12-23(13-11-22)19-20-8-5-9-21-19/h5-9,14H,3-4,10-13H2,1-2H3.
What are the key properties of (2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 356.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diethoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 6469090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).