N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide

C12H19N5O2 — CID 114600957

IUPACN-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1ncc(OC)cn1
InChIInChI=1S/C12H19N5O2/c1-3-14-11(18)10-8-13-4-5-17(10)12-15-6-9(19-2)7-16-12/h6-7,10,13H,3-5,8H2,1-2H3,(H,14,18)
InChIKeyAYGJOPRFGXQESC-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.60
Rot. Bonds4

About N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide

N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide (PubChem CID 114600957) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide
PubChem CID114600957
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1ncc(OC)cn1
InChIInChI=1S/C12H19N5O2/c1-3-14-11(18)10-8-13-4-5-17(10)12-15-6-9(19-2)7-16-12/h6-7,10,13H,3-5,8H2,1-2H3,(H,14,18)
InChIKeyAYGJOPRFGXQESC-UHFFFAOYSA-N
XLogP-0.60
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide?
The IUPAC name of N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide (CID 114600957) is N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide?
The canonical SMILES for N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide is CCNC(=O)C1CNCCN1c1ncc(OC)cn1.
What is the InChIKey of N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide?
The InChIKey is AYGJOPRFGXQESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-14-11(18)10-8-13-4-5-17(10)12-15-6-9(19-2)7-16-12/h6-7,10,13H,3-5,8H2,1-2H3,(H,14,18).
What are the key properties of N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide?
N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide is sourced from PubChem (CID 114600957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).