4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid

C11H16N4O3 — CID 135401754

IUPAC4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid
SMILESCc1nc(C)c(N2CCN(C(=O)O)CC2)c(=O)[nH]1
InChIInChI=1S/C11H16N4O3/c1-7-9(10(16)13-8(2)12-7)14-3-5-15(6-4-14)11(17)18/h3-6H2,1-2H3,(H,17,18)(H,12,13,16)
InChIKeyNNMLZOOXHSMUKJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.19
Rot. Bonds1

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

4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid (PubChem CID 135401754) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid
PubChem CID135401754
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid
SMILESCc1nc(C)c(N2CCN(C(=O)O)CC2)c(=O)[nH]1
InChIInChI=1S/C11H16N4O3/c1-7-9(10(16)13-8(2)12-7)14-3-5-15(6-4-14)11(17)18/h3-6H2,1-2H3,(H,17,18)(H,12,13,16)
InChIKeyNNMLZOOXHSMUKJ-UHFFFAOYSA-N
XLogP0.19
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Cyano-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol
CID 135422862
6-Amino-2-methyl-5-(1-piperazinyl)-4-pyrimidinol
CID 135406383
Ethyl 4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylate
CID 135406801
5-(4-(Aminomethyl)-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol
CID 135422761
4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide
CID 135427646
6-Amino-5-(4-cyano-1-piperazinyl)-2-methyl-4-pyrimidinol
CID 135444495
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
5-[(4-hydroxy-2,3-dimethyl-6-oxo-1H-pyrimidin-3-ium-5-yl)diazenyl]-2,3,6-trimethylpyrimidin-4-one
CID 136188182

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid (CID 135401754) is 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid is Cc1nc(C)c(N2CCN(C(=O)O)CC2)c(=O)[nH]1.
What is the InChIKey of 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid?
The InChIKey is NNMLZOOXHSMUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7-9(10(16)13-8(2)12-7)14-3-5-15(6-4-14)11(17)18/h3-6H2,1-2H3,(H,17,18)(H,12,13,16).
What are the key properties of 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid?
4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 135401754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).