4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one

C13H17ClN4O — CID 80950835

IUPAC4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H17ClN4O/c1-2-9-13(19)15-5-6-18(9)11-7-10(14)16-12(17-11)8-3-4-8/h7-9H,2-6H2,1H3,(H,15,19)
InChIKeyWULYMKYOCCRWHQ-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.72
Rot. Bonds3

About 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one

4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one (PubChem CID 80950835) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one
PubChem CID80950835
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H17ClN4O/c1-2-9-13(19)15-5-6-18(9)11-7-10(14)16-12(17-11)8-3-4-8/h7-9H,2-6H2,1H3,(H,15,19)
InChIKeyWULYMKYOCCRWHQ-UHFFFAOYSA-N
XLogP1.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-(6-chloro-4-nitro-2-pyridinyl)-3-ethylpiperazin-2-one
CID 114070846
4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one
CID 167888729
3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one
CID 133461689
3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one
CID 80833586
3-ethyl-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-2-one
CID 80834717
4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one
CID 80833939
3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
CID 80957569
3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one
CID 80833683
4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one
CID 133490439
3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
CID 80959273
4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one
CID 102758288
4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one
CID 113378431

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one (CID 80950835) is 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one?
The InChIKey is WULYMKYOCCRWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-2-9-13(19)15-5-6-18(9)11-7-10(14)16-12(17-11)8-3-4-8/h7-9H,2-6H2,1H3,(H,15,19).
What are the key properties of 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one?
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one has a molecular weight of 280.76 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 80950835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).