ethyl 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate

C12H19N5O3 — CID 135454743

IUPACethyl 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2c(N)nc(C)[nH]c2=O)CC1
InChIInChI=1S/C12H19N5O3/c1-3-20-12(19)17-6-4-16(5-7-17)9-10(13)14-8(2)15-11(9)18/h3-7H2,1-2H3,(H3,13,14,15,18)
InChIKeySDFVBOCWPLVRMD-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.06
Rot. Bonds2

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

ethyl 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate (PubChem CID 135454743) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate
PubChem CID135454743
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Nameethyl 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2c(N)nc(C)[nH]c2=O)CC1
InChIInChI=1S/C12H19N5O3/c1-3-20-12(19)17-6-4-16(5-7-17)9-10(13)14-8(2)15-11(9)18/h3-7H2,1-2H3,(H3,13,14,15,18)
InChIKeySDFVBOCWPLVRMD-UHFFFAOYSA-N
XLogP-0.06
TPSA104.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylic acid
CID 135401754
6-Amino-2-methyl-5-(1-piperazinyl)-4-pyrimidinol
CID 135406383
Ethyl 4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylate
CID 135406801
6-Amino-5-(4-cyano-1-piperazinyl)-2-methyl-4-pyrimidinol
CID 135444495
4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinecarboxylic acid
CID 135489787
Ethane;2-methyl-7-(4-methylpiperazin-1-yl)-3,5-dihydropteridine-4,6-dione
CID 144485330
ethyl 4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate
CID 135575736
ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate
CID 136898502
ethyl 4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate
CID 136898505
2-Methyl-7-(4-methylpiperazin-1-yl)-3,5-dihydropteridine-4,6-dione
CID 144485331

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate (CID 135454743) is ethyl 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2c(N)nc(C)[nH]c2=O)CC1.
What is the InChIKey of ethyl 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate?
The InChIKey is SDFVBOCWPLVRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-3-20-12(19)17-6-4-16(5-7-17)9-10(13)14-8(2)15-11(9)18/h3-7H2,1-2H3,(H3,13,14,15,18).
What are the key properties of ethyl 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate?
ethyl 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate has a molecular weight of 281.32 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 135454743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).