methyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate

C10H14N4O3 — CID 10879173

IUPACmethyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C10H14N4O3/c1-17-10(16)14-6-4-13(5-7-14)9-11-3-2-8(15)12-9/h2-3H,4-7H2,1H3,(H,11,12,15)
InChIKeyCNSROWDIMXBHNT-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.34
Rot. Bonds1

About methyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate

methyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate (PubChem CID 10879173) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is methyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate
PubChem CID10879173
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Namemethyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C10H14N4O3/c1-17-10(16)14-6-4-13(5-7-14)9-11-3-2-8(15)12-9/h2-3H,4-7H2,1H3,(H,11,12,15)
InChIKeyCNSROWDIMXBHNT-UHFFFAOYSA-N
XLogP-0.34
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-2-(4-methyl-1-piperazinyl)-4(3H)-pyrimidinone
CID 135517723
2-(4-acetylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 101705350
2-(4-methyl-1-piperazinyl)-4(3H)-pyrimidinone
CID 1404181
2-piperazin-1-yl-1H-pyrimidin-6-one
CID 1404239
ethyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate
CID 21517866
ethyl 4-(5-amino-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate
CID 53884006
2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one
CID 54052202
4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 129239112
4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylic acid
CID 140048026
tert-butyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate
CID 140048032
2-[4-(2-Aminoethyl)piperazin-1-yl]-3-methylpyrimidin-4-one
CID 166465110
6-Amino-3-methyl-2-piperazin-1-ylpyrimidin-4-one
CID 175603018

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate (CID 10879173) is methyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate is COC(=O)N1CCN(c2nccc(=O)[nH]2)CC1.
What is the InChIKey of methyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate?
The InChIKey is CNSROWDIMXBHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-17-10(16)14-6-4-13(5-7-14)9-11-3-2-8(15)12-9/h2-3H,4-7H2,1H3,(H,11,12,15).
What are the key properties of methyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate?
methyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate has a molecular weight of 238.25 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 10879173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).