1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one

C15H22N4O3 — CID 124997945

IUPAC1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CC[C@@](O)(CN2CCCC2)C1
InChIInChI=1S/C15H22N4O3/c20-13(10-18-8-3-5-16-14(18)21)19-9-4-15(22,12-19)11-17-6-1-2-7-17/h3,5,8,22H,1-2,4,6-7,9-12H2/t15-/m1/s1
InChIKeyREARABJFVLCUKT-OAHLLOKOSA-N
MW306.37 g/mol
LogP-0.70
Rot. Bonds4

About 1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 124997945) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID124997945
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CC[C@@](O)(CN2CCCC2)C1
InChIInChI=1S/C15H22N4O3/c20-13(10-18-8-3-5-16-14(18)21)19-9-4-15(22,12-19)11-17-6-1-2-7-17/h3,5,8,22H,1-2,4,6-7,9-12H2/t15-/m1/s1
InChIKeyREARABJFVLCUKT-OAHLLOKOSA-N
XLogP-0.70
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one with MolForge

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Related Compounds

2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]-1,4-diazepan-1-yl]acetic acid
CID 62823744
1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 124984316
1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 128950816
7-(cyclobutylmethyl)-2-[2-(2-oxopyrimidin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918553
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 124960013
1-[2-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-2-oxoethyl]pyrimidin-2-one
CID 135105437
1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 74244151
1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 63657793
2-benzyl-8-[2-(2-oxopyrimidin-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70740477
10-[2-(2-oxopyrimidin-1-yl)acetyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986363
1-benzyl-8-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165417874
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 125008568

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one (CID 124997945) is 1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)N1CC[C@@](O)(CN2CCCC2)C1.
What is the InChIKey of 1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is REARABJFVLCUKT-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-13(10-18-8-3-5-16-14(18)21)19-9-4-15(22,12-19)11-17-6-1-2-7-17/h3,5,8,22H,1-2,4,6-7,9-12H2/t15-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 306.37 g/mol, XLogP of -0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 124997945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).