5,6-dimethyl-2-[(1R)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one

C14H14N4OS2 — CID 7932839

IUPAC5,6-dimethyl-2-[(1R)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc([C@@H](C)Sc3ncccn3)[nH]c(=O)c2c1C
InChIInChI=1S/C14H14N4OS2/c1-7-8(2)20-13-10(7)12(19)17-11(18-13)9(3)21-14-15-5-4-6-16-14/h4-6,9H,1-3H3,(H,17,18,19)/t9-/m1/s1
InChIKeyCOVWZZNXDZIJTF-SECBINFHSA-N
MW318.43 g/mol
LogP3.24
Rot. Bonds3

About 5,6-dimethyl-2-[(1R)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-2-[(1R)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 7932839) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 5,6-dimethyl-2-[(1R)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[(1R)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID7932839
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name5,6-dimethyl-2-[(1R)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc([C@@H](C)Sc3ncccn3)[nH]c(=O)c2c1C
InChIInChI=1S/C14H14N4OS2/c1-7-8(2)20-13-10(7)12(19)17-11(18-13)9(3)21-14-15-5-4-6-16-14/h4-6,9H,1-3H3,(H,17,18,19)/t9-/m1/s1
InChIKeyCOVWZZNXDZIJTF-SECBINFHSA-N
XLogP3.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[(1R)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-[(1R)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 7932839) is 5,6-dimethyl-2-[(1R)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-[(1R)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-[(1R)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc([C@@H](C)Sc3ncccn3)[nH]c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-[(1R)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is COVWZZNXDZIJTF-SECBINFHSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-7-8(2)20-13-10(7)12(19)17-11(18-13)9(3)21-14-15-5-4-6-16-14/h4-6,9H,1-3H3,(H,17,18,19)/t9-/m1/s1.
What are the key properties of 5,6-dimethyl-2-[(1R)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-2-[(1R)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 318.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[(1R)-1-pyrimidin-2-ylsulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7932839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).