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

C12H16N4O4 — CID 110854101

IUPACethyl 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc[nH]c2=O)CC1
InChIInChI=1S/C12H16N4O4/c1-2-20-12(19)16-5-3-15(4-6-16)11(18)9-7-13-8-14-10(9)17/h7-8H,2-6H2,1H3,(H,13,14,17)
InChIKeyLQZKHHOUTMOBPV-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.32
Rot. Bonds2

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

ethyl 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate (PubChem CID 110854101) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is ethyl 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
PubChem CID110854101
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Nameethyl 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc[nH]c2=O)CC1
InChIInChI=1S/C12H16N4O4/c1-2-20-12(19)16-5-3-15(4-6-16)11(18)9-7-13-8-14-10(9)17/h7-8H,2-6H2,1H3,(H,13,14,17)
InChIKeyLQZKHHOUTMOBPV-UHFFFAOYSA-N
XLogP-0.32
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]piperazine-1-carboxylate
CID 74242915
5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82507534
3-Methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one
CID 83890531
N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110849732
5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 110849863
5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 110850036
4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde
CID 110850252
5-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 110850430
ethyl 4-[(6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 110853947
ethyl 4-[(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 110853948
ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
CID 110854102

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate (CID 110854101) is ethyl 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cnc[nH]c2=O)CC1.
What is the InChIKey of ethyl 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
The InChIKey is LQZKHHOUTMOBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-2-20-12(19)16-5-3-15(4-6-16)11(18)9-7-13-8-14-10(9)17/h7-8H,2-6H2,1H3,(H,13,14,17).
What are the key properties of ethyl 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
ethyl 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate has a molecular weight of 280.28 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 110854101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).