ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate

C13H20N4O3 — CID 135406801

IUPACethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2c(C)nc(C)[nH]c2=O)CC1
InChIInChI=1S/C13H20N4O3/c1-4-20-13(19)17-7-5-16(6-8-17)11-9(2)14-10(3)15-12(11)18/h4-8H2,1-3H3,(H,14,15,18)
InChIKeyYBHRBZROUHKOKW-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.67
Rot. Bonds2

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

ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate (PubChem CID 135406801) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate
PubChem CID135406801
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nameethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2c(C)nc(C)[nH]c2=O)CC1
InChIInChI=1S/C13H20N4O3/c1-4-20-13(19)17-7-5-16(6-8-17)11-9(2)14-10(3)15-12(11)18/h4-8H2,1-3H3,(H,14,15,18)
InChIKeyYBHRBZROUHKOKW-UHFFFAOYSA-N
XLogP0.67
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Cyano-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol
CID 135422862
4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylic acid
CID 135401754
4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide
CID 135427646
Ethyl 4-(4-amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinecarboxylate
CID 135454743
2,6-Dimethyl-5-(1-piperazinyl)-4-pyrimidinol
CID 135481922
4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinecarboxylic acid
CID 135489787
2-[2,4-dimethyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-methylacetamide
CID 60092752
2-[2,4-dimethyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-ethylacetamide
CID 60092907
2,6-Dimethyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
CID 55261962
ethyl 4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate
CID 135575736
ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carboxylate
CID 136890063
ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate
CID 136898502

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate (CID 135406801) is ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2c(C)nc(C)[nH]c2=O)CC1.
What is the InChIKey of ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate?
The InChIKey is YBHRBZROUHKOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-4-20-13(19)17-7-5-16(6-8-17)11-9(2)14-10(3)15-12(11)18/h4-8H2,1-3H3,(H,14,15,18).
What are the key properties of ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate?
ethyl 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 0.67, 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-pyrimidin-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 135406801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).