3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one

C11H16N4O — CID 75379309

IUPAC3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one
SMILESCCC1C(=O)NCCN1c1cc(C)ncn1
InChIInChI=1S/C11H16N4O/c1-3-9-11(16)12-4-5-15(9)10-6-8(2)13-7-14-10/h6-7,9H,3-5H2,1-2H3,(H,12,16)
InChIKeyIBALIBJAKYYMSH-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.50
Rot. Bonds2

About 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one

3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one (PubChem CID 75379309) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one
PubChem CID75379309
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one
SMILESCCC1C(=O)NCCN1c1cc(C)ncn1
InChIInChI=1S/C11H16N4O/c1-3-9-11(16)12-4-5-15(9)10-6-8(2)13-7-14-10/h6-7,9H,3-5H2,1-2H3,(H,12,16)
InChIKeyIBALIBJAKYYMSH-UHFFFAOYSA-N
XLogP0.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-Methylpyrimidin-4-yl)piperidin-3-amine
CID 54592599
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-4-amine
CID 50988376
N,N,4-trimethyl-6-(piperazin-1-yl)pyrimidin-2-amine
CID 83707760
N'-cyclopentyl-N-methyl-N-(4-pyrimidinylmethyl)succinamide
CID 28363197
2-[(6-Ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide
CID 50968814
N-cyclopropyl-4-(6-methyl-2-propyl-4-pyrimidinyl)-2-piperazinecarboxamide
CID 56903950
5-((4,6-Dimethylpyrimidin-2-yl)amino)-1-methylpiperidin-2-one
CID 64668602
(4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethyl-L-prolinamide
CID 70757415
3-Ethyl-4-(4-methylpyrimidin-2-yl)piperazin-2-one
CID 75379310
4-(2-Tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one
CID 75379311
1-[[2-(Dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea
CID 75444256
6-(piperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91628643

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one (CID 75379309) is 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one is CCC1C(=O)NCCN1c1cc(C)ncn1.
What is the InChIKey of 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one?
The InChIKey is IBALIBJAKYYMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-9-11(16)12-4-5-15(9)10-6-8(2)13-7-14-10/h6-7,9H,3-5H2,1-2H3,(H,12,16).
What are the key properties of 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one?
3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 75379309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).