1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide

C11H16ClN5O2 — CID 136978469

IUPAC1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H16ClN5O2/c1-2-14-10(18)7-5-13-3-4-17(7)9-8(12)11(19)16-6-15-9/h6-7,13H,2-5H2,1H3,(H,14,18)(H,15,16,19)
InChIKeyYJBANVIVDIHEIG-UHFFFAOYSA-N
MW285.74 g/mol
LogP-0.66
Rot. Bonds3

About 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide

1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide (PubChem CID 136978469) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide
PubChem CID136978469
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Name1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H16ClN5O2/c1-2-14-10(18)7-5-13-3-4-17(7)9-8(12)11(19)16-6-15-9/h6-7,13H,2-5H2,1H3,(H,14,18)(H,15,16,19)
InChIKeyYJBANVIVDIHEIG-UHFFFAOYSA-N
XLogP-0.66
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(2-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008146
N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
CID 136978464
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide
CID 136978451
1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide
CID 103582821
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
CID 136978434
1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide
CID 83157135
N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide
CID 114600957
N-methyl-1-(2-oxo-1H-pyrazin-3-yl)piperazine-2-carboxamide
CID 114570988
1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
CID 115355359
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide
CID 114787143
1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
CID 115975420
1-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylpiperazine-2-carboxamide
CID 116519823

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide?
The IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide (CID 136978469) is 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide is CCNC(=O)C1CNCCN1c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide?
The InChIKey is YJBANVIVDIHEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c1-2-14-10(18)7-5-13-3-4-17(7)9-8(12)11(19)16-6-15-9/h6-7,13H,2-5H2,1H3,(H,14,18)(H,15,16,19).
What are the key properties of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide?
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide has a molecular weight of 285.74 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide is sourced from PubChem (CID 136978469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).