2-ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one

C12H21N3O — CID 90089683

IUPAC2-ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one
SMILESCCC1=NC(C2CCNCC2)CC(=O)N1C
InChIInChI=1S/C12H21N3O/c1-3-11-14-10(8-12(16)15(11)2)9-4-6-13-7-5-9/h9-10,13H,3-8H2,1-2H3
InChIKeyIFZQDAHKAXGXMJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.03
Rot. Bonds2

About 2-ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one

2-ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one (PubChem CID 90089683) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one
PubChem CID90089683
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one
SMILESCCC1=NC(C2CCNCC2)CC(=O)N1C
InChIInChI=1S/C12H21N3O/c1-3-11-14-10(8-12(16)15(11)2)9-4-6-13-7-5-9/h9-10,13H,3-8H2,1-2H3
InChIKeyIFZQDAHKAXGXMJ-UHFFFAOYSA-N
XLogP1.03
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one
CID 20666330
2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 90089791
(4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide
CID 90230592
2-[4-(cyclohexylamino)piperidine-1-carboximidoyl]-4-imino-N,N-dimethylpentanamide
CID 123937213
2-[2-[1-[2-(5-Methyliminopyrrolidin-2-yl)acetyl]piperidin-4-yl]ethyl]guanidine
CID 137192530
2-[2-[1-[2-(5-Methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine
CID 137298090
(3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide
CID 166914999
N,N'-dimethyl-1-propanoylpiperidine-3-carboximidamide
CID 169661791
1-acetyl-N-ethyl-N'-methylpiperidine-3-carboximidamide
CID 169661836
2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one;ethane;molecular hydrogen
CID 170592203
N-ethyl-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
CID 173174752
(2R,4S)-2-(dimethylamino)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide
CID 173787804

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 2-ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one (CID 90089683) is 2-ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 2-ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 2-ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one is CCC1=NC(C2CCNCC2)CC(=O)N1C.
What is the InChIKey of 2-ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one?
The InChIKey is IFZQDAHKAXGXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-11-14-10(8-12(16)15(11)2)9-4-6-13-7-5-9/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one?
2-ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one has a molecular weight of 223.32 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 90089683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).