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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).