1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one

C14H21N3O4 — CID 165413697

IUPAC1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one
SMILESCc1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)nc1N1CCCC1
InChIInChI=1S/C14H21N3O4/c1-9-7-17(12-6-10(19)11(8-18)21-12)14(20)15-13(9)16-4-2-3-5-16/h7,10-12,18-19H,2-6,8H2,1H3/t10?,11-,12-/m1/s1
InChIKeyRIUXMWGRUNVQMN-PQDIPPBSSA-N
MW295.34 g/mol
LogP-0.21
Rot. Bonds3

About 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one

1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one (PubChem CID 165413697) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one.

Molecular Properties

Compound Name1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one
PubChem CID165413697
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one
SMILESCc1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)nc1N1CCCC1
InChIInChI=1S/C14H21N3O4/c1-9-7-17(12-6-10(19)11(8-18)21-12)14(20)15-13(9)16-4-2-3-5-16/h7,10-12,18-19H,2-6,8H2,1H3/t10?,11-,12-/m1/s1
InChIKeyRIUXMWGRUNVQMN-PQDIPPBSSA-N
XLogP-0.21
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2S,4R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-piperidin-1-ylpyrimidin-2-one
CID 124891500
1-[(2R,4R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-piperidin-1-ylpyrimidin-2-one
CID 95166387
1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-piperidin-1-ylpyrimidin-2-one
CID 71834936
1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-piperidin-1-ylpyrimidin-2-one
CID 98225643
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;ethane
CID 144939654
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
CID 6990676
2-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-4-one
CID 11107495
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 70367096
1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one
CID 512333
3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]sulfanylpropanenitrile
CID 102602193
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7-dimethylpyrrolo[2,3-d]pyrimidin-2-one
CID 175677114
4-(hexylamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 162647981

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one?
The IUPAC name of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one (CID 165413697) is 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one.
What is the SMILES notation for 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one?
The canonical SMILES for 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one is Cc1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)nc1N1CCCC1.
What is the InChIKey of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one?
The InChIKey is RIUXMWGRUNVQMN-PQDIPPBSSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9-7-17(12-6-10(19)11(8-18)21-12)14(20)15-13(9)16-4-2-3-5-16/h7,10-12,18-19H,2-6,8H2,1H3/t10?,11-,12-/m1/s1.
What are the key properties of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one?
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one has a molecular weight of 295.34 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one is sourced from PubChem (CID 165413697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).