2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one

C19H26N6O — CID 122348904

IUPAC2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1
InChIInChI=1S/C19H26N6O/c1-3-15(4-2)19(26)25-11-9-24(10-12-25)18-13-17(21-14-22-18)23-16-7-5-6-8-20-16/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,20,21,22,23)
InChIKeyPUAHOAXFZMXCDM-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.70
Rot. Bonds6

About 2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one

2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one (PubChem CID 122348904) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
PubChem CID122348904
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1
InChIInChI=1S/C19H26N6O/c1-3-15(4-2)19(26)25-11-9-24(10-12-25)18-13-17(21-14-22-18)23-16-7-5-6-8-20-16/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,20,21,22,23)
InChIKeyPUAHOAXFZMXCDM-UHFFFAOYSA-N
XLogP2.70
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-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

(3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348910
2-(2-methylphenoxy)-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349075
(4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349291
(2-fluorophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348922
N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122348977
(5-bromo-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349064
2-(4-fluorophenoxy)-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349079
4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122349281
3-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 122349108
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349110
2,3-dihydro-1,4-benzodioxin-5-yl-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349143
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122348991

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one (CID 122348904) is 2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1.
What is the InChIKey of 2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one?
The InChIKey is PUAHOAXFZMXCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-3-15(4-2)19(26)25-11-9-24(10-12-25)18-13-17(21-14-22-18)23-16-7-5-6-8-20-16/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,20,21,22,23).
What are the key properties of 2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one?
2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one has a molecular weight of 354.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 122348904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).