N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide

C11H17N5O2 — CID 136978464

IUPACN-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N5O2/c1-2-13-11(18)8-6-12-3-4-16(8)9-5-10(17)15-7-14-9/h5,7-8,12H,2-4,6H2,1H3,(H,13,18)(H,14,15,17)
InChIKeyXDPRNEXUDZCFSW-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.32
Rot. Bonds3

About N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide

N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide (PubChem CID 136978464) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
PubChem CID136978464
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N5O2/c1-2-13-11(18)8-6-12-3-4-16(8)9-5-10(17)15-7-14-9/h5,7-8,12H,2-4,6H2,1H3,(H,13,18)(H,14,15,17)
InChIKeyXDPRNEXUDZCFSW-UHFFFAOYSA-N
XLogP-1.32
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide?
The IUPAC name of N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide (CID 136978464) is N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide?
The canonical SMILES for N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide is CCNC(=O)C1CNCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide?
The InChIKey is XDPRNEXUDZCFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-2-13-11(18)8-6-12-3-4-16(8)9-5-10(17)15-7-14-9/h5,7-8,12H,2-4,6H2,1H3,(H,13,18)(H,14,15,17).
What are the key properties of N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide?
N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide is sourced from PubChem (CID 136978464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).