5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione

C8H12N2O4 — CID 67951230

IUPAC5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc(C[C@H](O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O4/c1-10-3-5(2-6(12)4-11)7(13)9-8(10)14/h3,6,11-12H,2,4H2,1H3,(H,9,13,14)/t6-/m0/s1
InChIKeyXQHYSUXUORGUFG-LURJTMIESA-N
MW200.19 g/mol
LogP-2.03
Rot. Bonds3

About 5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione

5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione (PubChem CID 67951230) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione
PubChem CID67951230
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc(C[C@H](O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O4/c1-10-3-5(2-6(12)4-11)7(13)9-8(10)14/h3,6,11-12H,2,4H2,1H3,(H,9,13,14)/t6-/m0/s1
InChIKeyXQHYSUXUORGUFG-LURJTMIESA-N
XLogP-2.03
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione
CID 67951281
1-(3,4-dihydroxybutyl)-5-iodopyrimidine-2,4-dione
CID 58979936
5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione
CID 143870304
2-(1-methyl-2,4-dioxopyrimidin-5-yl)oxyacetic acid
CID 21087714
1-methyl-5-sulfanylpyrimidine-2,4-dione
CID 23516176
ethane;5-(hydroxymethyl)-1-methyl-2-sulfanylidenepyrimidin-4-one
CID 171500307
ethane;5-(hydroxymethyl)-1-methyl-2-sulfanylidenepyrimidin-4-one
CID 171500170
5-(disulfanyl)-1-methylpyrimidine-2,4-dione
CID 123666794
1-methyl-5-(methylamino)pyrimidine-2,4-dione
CID 67427145
ethane;2-methyl-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]propanamide
CID 166551975
ethane;2-methyl-N-[3-(1-methyl-2,4-dioxopyrimidin-5-yl)prop-2-ynyl]propanamide
CID 163281705
2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetamide
CID 129289932

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione (CID 67951230) is 5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione is Cn1cc(C[C@H](O)CO)c(=O)[nH]c1=O.
What is the InChIKey of 5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is XQHYSUXUORGUFG-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O4/c1-10-3-5(2-6(12)4-11)7(13)9-8(10)14/h3,6,11-12H,2,4H2,1H3,(H,9,13,14)/t6-/m0/s1.
What are the key properties of 5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione?
5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 200.19 g/mol, XLogP of -2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2,3-dihydroxypropyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 67951230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).