2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one

C16H23N3O2 — CID 136860381

IUPAC2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)CC2CCCC2)n1
InChIInChI=1S/C16H23N3O2/c1-11-9-14(20)18-16(17-11)13-7-4-8-19(13)15(21)10-12-5-2-3-6-12/h9,12-13H,2-8,10H2,1H3,(H,17,18,20)/t13-/m1/s1
InChIKeyQTFLJHJWKLRXQI-CYBMUJFWSA-N
MW289.38 g/mol
LogP2.32
Rot. Bonds3

About 2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one

2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136860381) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136860381
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)CC2CCCC2)n1
InChIInChI=1S/C16H23N3O2/c1-11-9-14(20)18-16(17-11)13-7-4-8-19(13)15(21)10-12-5-2-3-6-12/h9,12-13H,2-8,10H2,1H3,(H,17,18,20)/t13-/m1/s1
InChIKeyQTFLJHJWKLRXQI-CYBMUJFWSA-N
XLogP2.32
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816533
2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860375
2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 135963718
4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136860377
2-cyclopentyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 53017109
4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136804079
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796755
7-acetyl-2-[(2R)-1-(2-cyclohexylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774883
(3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 135963344
(3S)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 135963342
6-(2-cyclohexylacetyl)-2-(1-propanoylpyrrolidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796842
4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 135963671

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one (CID 136860381) is 2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@H]2CCCN2C(=O)CC2CCCC2)n1.
What is the InChIKey of 2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QTFLJHJWKLRXQI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-9-14(20)18-16(17-11)13-7-4-8-19(13)15(21)10-12-5-2-3-6-12/h9,12-13H,2-8,10H2,1H3,(H,17,18,20)/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one?
2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 289.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136860381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).