1-[1-[(2R)-1,3-dihydroxybutan-2-yl]sulfanylethenyl]pyrimidine-2,4-dione

C10H14N2O4S — CID 163836372

IUPAC1-[1-[(2R)-1,3-dihydroxybutan-2-yl]sulfanylethenyl]pyrimidine-2,4-dione
SMILESC=C(S[C@H](CO)C(C)O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4S/c1-6(14)8(5-13)17-7(2)12-4-3-9(15)11-10(12)16/h3-4,6,8,13-14H,2,5H2,1H3,(H,11,15,16)/t6?,8-/m1/s1
InChIKeyOIBRWQFOQBEMAK-QFSRMBNQSA-N
MW258.30 g/mol
LogP-0.56
Rot. Bonds5

About 1-[1-[(2R)-1,3-dihydroxybutan-2-yl]sulfanylethenyl]pyrimidine-2,4-dione

1-[1-[(2R)-1,3-dihydroxybutan-2-yl]sulfanylethenyl]pyrimidine-2,4-dione (PubChem CID 163836372) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[1-[(2R)-1,3-dihydroxybutan-2-yl]sulfanylethenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[1-[(2R)-1,3-dihydroxybutan-2-yl]sulfanylethenyl]pyrimidine-2,4-dione
PubChem CID163836372
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name1-[1-[(2R)-1,3-dihydroxybutan-2-yl]sulfanylethenyl]pyrimidine-2,4-dione
SMILESC=C(S[C@H](CO)C(C)O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4S/c1-6(14)8(5-13)17-7(2)12-4-3-9(15)11-10(12)16/h3-4,6,8,13-14H,2,5H2,1H3,(H,11,15,16)/t6?,8-/m1/s1
InChIKeyOIBRWQFOQBEMAK-QFSRMBNQSA-N
XLogP-0.56
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-prop-1-en-2-ylpyrimidine-2,4-dione
CID 144698021
1-(1-fluoroethenyl)pyrimidine-2,4-dione
CID 67743513
(2S)-2-[(2R,3S)-1,3-dihydroxybutan-2-yl]oxy-2-(2,4-dioxopyrimidin-1-yl)propanenitrile
CID 70914999
2,4-dioxopyrimidine-1-carboxylic acid;zinc
CID 174838815
2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid
CID 66599108
2,4-dioxopyrimidine-1-carboxamide
CID 54056435
1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione
CID 123506257
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862
1-(1-hydroxypropyl)pyrimidine-2,4-dione
CID 123462813
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 155149316
1-(uracil-1-yl)-3-O-(phosphonomethyl)-L-threose sodium salt
CID 66780829

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2R)-1,3-dihydroxybutan-2-yl]sulfanylethenyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[1-[(2R)-1,3-dihydroxybutan-2-yl]sulfanylethenyl]pyrimidine-2,4-dione (CID 163836372) is 1-[1-[(2R)-1,3-dihydroxybutan-2-yl]sulfanylethenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[1-[(2R)-1,3-dihydroxybutan-2-yl]sulfanylethenyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[1-[(2R)-1,3-dihydroxybutan-2-yl]sulfanylethenyl]pyrimidine-2,4-dione is C=C(S[C@H](CO)C(C)O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[1-[(2R)-1,3-dihydroxybutan-2-yl]sulfanylethenyl]pyrimidine-2,4-dione?
The InChIKey is OIBRWQFOQBEMAK-QFSRMBNQSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-6(14)8(5-13)17-7(2)12-4-3-9(15)11-10(12)16/h3-4,6,8,13-14H,2,5H2,1H3,(H,11,15,16)/t6?,8-/m1/s1.
What are the key properties of 1-[1-[(2R)-1,3-dihydroxybutan-2-yl]sulfanylethenyl]pyrimidine-2,4-dione?
1-[1-[(2R)-1,3-dihydroxybutan-2-yl]sulfanylethenyl]pyrimidine-2,4-dione has a molecular weight of 258.30 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2R)-1,3-dihydroxybutan-2-yl]sulfanylethenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 163836372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).