1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione

C10H16N2O4S — CID 143272247

IUPAC1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione
SMILESCC(SC(CO)[C@H](C)O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O4S/c1-6(14)8(5-13)17-7(2)12-4-3-9(15)11-10(12)16/h3-4,6-8,13-14H,5H2,1-2H3,(H,11,15,16)/t6-,7?,8?/m0/s1
InChIKeyNFEAXPJTLKUJCR-KKMMWDRVSA-N
MW260.31 g/mol
LogP-0.47
Rot. Bonds5

About 1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione

1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione (PubChem CID 143272247) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione
PubChem CID143272247
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione
SMILESCC(SC(CO)[C@H](C)O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O4S/c1-6(14)8(5-13)17-7(2)12-4-3-9(15)11-10(12)16/h3-4,6-8,13-14H,5H2,1-2H3,(H,11,15,16)/t6-,7?,8?/m0/s1
InChIKeyNFEAXPJTLKUJCR-KKMMWDRVSA-N
XLogP-0.47
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione (CID 143272247) is 1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione is CC(SC(CO)[C@H](C)O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione?
The InChIKey is NFEAXPJTLKUJCR-KKMMWDRVSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-6(14)8(5-13)17-7(2)12-4-3-9(15)11-10(12)16/h3-4,6-8,13-14H,5H2,1-2H3,(H,11,15,16)/t6-,7?,8?/m0/s1.
What are the key properties of 1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione?
1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione has a molecular weight of 260.31 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3S)-1,3-dihydroxybutan-2-yl]sulfanylethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 143272247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).