6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione

C12H18N2O2 — CID 122239022

IUPAC6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(CCC2CCCC2)[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-14-11(15)8-10(13-12(14)16)7-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,13,16)
InChIKeyBOHQTOIFYNCTGY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.20
Rot. Bonds3

About 6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione

6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 122239022) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID122239022
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(CCC2CCCC2)[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-14-11(15)8-10(13-12(14)16)7-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,13,16)
InChIKeyBOHQTOIFYNCTGY-UHFFFAOYSA-N
XLogP1.20
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-cyclopentylethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 121205561
3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione
CID 154109395
6-(cyclohexylamino)-3-methyl-1H-pyrimidine-2,4-dione
CID 777243
3-(4-aminophenyl)-5-(4-cyclobutylbutyl)-1H-imidazol-2-one
CID 69137527
8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one
CID 70901480
3-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione
CID 121205371
4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025477
1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione
CID 115042065
6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
CID 56770229
4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine
CID 170352114
(2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide
CID 146142658
6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione
CID 129274155

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione (CID 122239022) is 6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(CCC2CCCC2)[nH]c1=O.
What is the InChIKey of 6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is BOHQTOIFYNCTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-11(15)8-10(13-12(14)16)7-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,13,16).
What are the key properties of 6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione?
6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentylethyl)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122239022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).