ethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate

C20H25N5O3 — CID 109261942

IUPACethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncc(C(=O)Nc3cc(C)cc(C)c3)cn2)CC1
InChIInChI=1S/C20H25N5O3/c1-4-28-20(27)25-7-5-24(6-8-25)19-21-12-16(13-22-19)18(26)23-17-10-14(2)9-15(3)11-17/h9-13H,4-8H2,1-3H3,(H,23,26)
InChIKeyNDWCMDIULMRTJH-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.62
Rot. Bonds4

About ethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate

ethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate (PubChem CID 109261942) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate
PubChem CID109261942
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Nameethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncc(C(=O)Nc3cc(C)cc(C)c3)cn2)CC1
InChIInChI=1S/C20H25N5O3/c1-4-28-20(27)25-7-5-24(6-8-25)19-21-12-16(13-22-19)18(26)23-17-10-14(2)9-15(3)11-17/h9-13H,4-8H2,1-3H3,(H,23,26)
InChIKeyNDWCMDIULMRTJH-UHFFFAOYSA-N
XLogP2.62
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate 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

ethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194102
ethyl 4-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014225
ethyl 4-[5-[(3,4-dimethylbenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014233
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109254821
ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109238366
ethyl 4-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 109252241
N-(3,5-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959323
ethyl 4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazine-1-carboxylate
CID 108531691
ethyl 4-[5-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109261929
ethyl 4-(5-bromo-4-methoxypyrimidin-2-yl)piperazine-1-carboxylate
CID 103726594
ethyl 4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperazine-1-carboxylate
CID 146042304
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate (CID 109261942) is ethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ncc(C(=O)Nc3cc(C)cc(C)c3)cn2)CC1.
What is the InChIKey of ethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate?
The InChIKey is NDWCMDIULMRTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-4-28-20(27)25-7-5-24(6-8-25)19-21-12-16(13-22-19)18(26)23-17-10-14(2)9-15(3)11-17/h9-13H,4-8H2,1-3H3,(H,23,26).
What are the key properties of ethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate?
ethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 109261942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).