6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C12H19N3O3 — CID 112734010

IUPAC6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCC[C@H]2CO)cc(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O3/c1-13-10(6-11(17)14(2)12(13)18)7-15-5-3-4-9(15)8-16/h6,9,16H,3-5,7-8H2,1-2H3/t9-/m0/s1
InChIKeyOQYWFTSVCNGVJD-VIFPVBQESA-N
MW253.30 g/mol
LogP-0.96
Rot. Bonds3

About 6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 112734010) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID112734010
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCC[C@H]2CO)cc(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O3/c1-13-10(6-11(17)14(2)12(13)18)7-15-5-3-4-9(15)8-16/h6,9,16H,3-5,7-8H2,1-2H3/t9-/m0/s1
InChIKeyOQYWFTSVCNGVJD-VIFPVBQESA-N
XLogP-0.96
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 95578957
6-[[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 100848655
1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione
CID 42890000
6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 95270913
6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 95307044
6-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 63312584
methyl (3S)-1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-3-carboxylate
CID 79037622
1,3-dimethyl-6-[[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione
CID 95981141
6-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 128989812
6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 119909687
1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 71900504
[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 66154354

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 112734010) is 6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CN2CCC[C@H]2CO)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OQYWFTSVCNGVJD-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O3/c1-13-10(6-11(17)14(2)12(13)18)7-15-5-3-4-9(15)8-16/h6,9,16H,3-5,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 253.30 g/mol, XLogP of -0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 112734010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).