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

C14H20N4O4 — CID 136890063

IUPACethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2c(C)nc(C)[nH]c2=O)CC1
InChIInChI=1S/C14H20N4O4/c1-4-22-14(21)18-7-5-17(6-8-18)13(20)11-9(2)15-10(3)16-12(11)19/h4-8H2,1-3H3,(H,15,16,19)
InChIKeyNQSRLINMZCNZNY-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.30
Rot. Bonds2

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

ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate (PubChem CID 136890063) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
PubChem CID136890063
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Nameethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2c(C)nc(C)[nH]c2=O)CC1
InChIInChI=1S/C14H20N4O4/c1-4-22-14(21)18-7-5-17(6-8-18)13(20)11-9(2)15-10(3)16-12(11)19/h4-8H2,1-3H3,(H,15,16,19)
InChIKeyNQSRLINMZCNZNY-UHFFFAOYSA-N
XLogP0.30
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperazine-1-carboxylate
CID 135896960
Ethyl 4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylate
CID 135406801
2-fluoroethyl 2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 136558265
tert-Butyl 2-methyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 136011116
Ethyl 4-[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]piperazine-1-carboxylate
CID 74242915
ethyl 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
CID 110854102
methyl 3-[methyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]propanoate
CID 135998954
4-methyl-5-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136062320
4-methyl-5-(3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136108726
2-cyclopropyl-4-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 136216367
4-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperazine-2,6-dione
CID 136246570
2,4-dimethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 136311198

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate (CID 136890063) is ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2c(C)nc(C)[nH]c2=O)CC1.
What is the InChIKey of ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
The InChIKey is NQSRLINMZCNZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-4-22-14(21)18-7-5-17(6-8-18)13(20)11-9(2)15-10(3)16-12(11)19/h4-8H2,1-3H3,(H,15,16,19).
What are the key properties of ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate?
ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 136890063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).