(6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C12H18N2OS2 — CID 7100984

IUPAC(6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCC[C@H](C)Sc1nc2c(c(=O)n1C)S[C@H](C)C2
InChIInChI=1S/C12H18N2OS2/c1-5-7(2)17-12-13-9-6-8(3)16-10(9)11(15)14(12)4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyUYQKRHCRASFKLS-JGVFFNPUSA-N
MW270.42 g/mol
LogP2.71
Rot. Bonds3

About (6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

(6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 7100984) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name(6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID7100984
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC Name(6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCC[C@H](C)Sc1nc2c(c(=O)n1C)S[C@H](C)C2
InChIInChI=1S/C12H18N2OS2/c1-5-7(2)17-12-13-9-6-8(3)16-10(9)11(15)14(12)4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyUYQKRHCRASFKLS-JGVFFNPUSA-N
XLogP2.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of (6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 7100984) is (6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for (6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for (6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CC[C@H](C)Sc1nc2c(c(=O)n1C)S[C@H](C)C2.
What is the InChIKey of (6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is UYQKRHCRASFKLS-JGVFFNPUSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-5-7(2)17-12-13-9-6-8(3)16-10(9)11(15)14(12)4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of (6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
(6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 270.42 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-[(2S)-butan-2-yl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 7100984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).