2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C13H19N5O — CID 60671657

IUPAC2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CNC1CC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H19N5O/c19-12(10-16-11-2-3-11)17-6-8-18(9-7-17)13-14-4-1-5-15-13/h1,4-5,11,16H,2-3,6-10H2
InChIKeyHZKOVSIANRJSSA-UHFFFAOYSA-N
MW261.33 g/mol
LogP-0.12
Rot. Bonds4

About 2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 60671657) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID60671657
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CNC1CC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H19N5O/c19-12(10-16-11-2-3-11)17-6-8-18(9-7-17)13-14-4-1-5-15-13/h1,4-5,11,16H,2-3,6-10H2
InChIKeyHZKOVSIANRJSSA-UHFFFAOYSA-N
XLogP-0.12
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone 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

N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide
CID 112994704
N-cycloheptyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950957
2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 60938982
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78915307
2-(propylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671666
N-cyclopropyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 47281905
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
2-(butylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108993062
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39965110
2-ethyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 112994682
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
CID 9243504

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 60671657) is 2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(CNC1CC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is HZKOVSIANRJSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c19-12(10-16-11-2-3-11)17-6-8-18(9-7-17)13-14-4-1-5-15-13/h1,4-5,11,16H,2-3,6-10H2.
What are the key properties of 2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 261.33 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 60671657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).