5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one

C14H21N3O2 — CID 136890087

IUPAC5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCCC1CCCCN1C(=O)c1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C14H21N3O2/c1-4-11-7-5-6-8-17(11)14(19)12-9(2)15-10(3)16-13(12)18/h11H,4-8H2,1-3H3,(H,15,16,18)
InChIKeyHIQHJLSMKWWTQC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.79
Rot. Bonds2

About 5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one

5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 136890087) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID136890087
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCCC1CCCCN1C(=O)c1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C14H21N3O2/c1-4-11-7-5-6-8-17(11)14(19)12-9(2)15-10(3)16-13(12)18/h11H,4-8H2,1-3H3,(H,15,16,18)
InChIKeyHIQHJLSMKWWTQC-UHFFFAOYSA-N
XLogP1.79
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-Dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 214583
14-Methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one
CID 13815434
2,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidine-3-carboxamide
CID 20452142
N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide
CID 142708892
2-hydroxy-4-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 153548840
2,6-Dimethyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 55237814
5-({2-[2-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56914559
5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95896274
5-[(2S)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95896275
3-(Aminomethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 105447164
2-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 110848894
5-(2-ethylpiperidine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 110856005

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one (CID 136890087) is 5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one is CCC1CCCCN1C(=O)c1c(C)nc(C)[nH]c1=O.
What is the InChIKey of 5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is HIQHJLSMKWWTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-11-7-5-6-8-17(11)14(19)12-9(2)15-10(3)16-13(12)18/h11H,4-8H2,1-3H3,(H,15,16,18).
What are the key properties of 5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one?
5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136890087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).