ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate

C13H18N4O4 — CID 110854102

IUPACethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc(C)[nH]c2=O)CC1
InChIInChI=1S/C13H18N4O4/c1-3-21-13(20)17-6-4-16(5-7-17)12(19)10-8-14-9(2)15-11(10)18/h8H,3-7H2,1-2H3,(H,14,15,18)
InChIKeyMFLWKVWPEMHGNX-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.01
Rot. Bonds2

About ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate

ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate (PubChem CID 110854102) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
PubChem CID110854102
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Nameethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc(C)[nH]c2=O)CC1
InChIInChI=1S/C13H18N4O4/c1-3-21-13(20)17-6-4-16(5-7-17)12(19)10-8-14-9(2)15-11(10)18/h8H,3-7H2,1-2H3,(H,14,15,18)
InChIKeyMFLWKVWPEMHGNX-UHFFFAOYSA-N
XLogP-0.01
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)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

2-tert-butyl-5-[4-(3-methoxypropyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 70733974
N-ethyl-2-{4-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1-piperazinyl}acetamide
CID 72909858
Ethyl 4-[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]piperazine-1-carboxylate
CID 74242915
2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82509423
2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82510676
2,3-Dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one
CID 83890793
2-isopropyl-5-{[4-(2-methoxyethyl)piperazin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 91839408
N-[2-(dimethylamino)ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110849638
2-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110849733
2-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 110849864
5-(4-ethylpiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 110850037
4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde
CID 110850253

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate (CID 110854102) is ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cnc(C)[nH]c2=O)CC1.
What is the InChIKey of ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
The InChIKey is MFLWKVWPEMHGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-3-21-13(20)17-6-4-16(5-7-17)12(19)10-8-14-9(2)15-11(10)18/h8H,3-7H2,1-2H3,(H,14,15,18).
What are the key properties of ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate has a molecular weight of 294.31 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 110854102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).