2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one

C17H20N4OS2 — CID 133407718

IUPAC2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1cc(Sc2nc3sccc3c(=O)n2C)nc(C(C)C)n1
InChIInChI=1S/C17H20N4OS2/c1-9(2)12-8-13(19-14(18-12)10(3)4)24-17-20-15-11(6-7-23-15)16(22)21(17)5/h6-10H,1-5H3
InChIKeyVJGSPXFKBCFZLK-UHFFFAOYSA-N
MW360.51 g/mol
LogP4.18
Rot. Bonds4

About 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one

2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 133407718) has the molecular formula C17H20N4OS2 and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID133407718
Molecular FormulaC17H20N4OS2
Molecular Weight360.51 g/mol
Exact Mass360.11
IUPAC Name2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1cc(Sc2nc3sccc3c(=O)n2C)nc(C(C)C)n1
InChIInChI=1S/C17H20N4OS2/c1-9(2)12-8-13(19-14(18-12)10(3)4)24-17-20-15-11(6-7-23-15)16(22)21(17)5/h6-10H,1-5H3
InChIKeyVJGSPXFKBCFZLK-UHFFFAOYSA-N
XLogP4.18
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one (CID 133407718) is 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one is CC(C)c1cc(Sc2nc3sccc3c(=O)n2C)nc(C(C)C)n1.
What is the InChIKey of 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is VJGSPXFKBCFZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS2/c1-9(2)12-8-13(19-14(18-12)10(3)4)24-17-20-15-11(6-7-23-15)16(22)21(17)5/h6-10H,1-5H3.
What are the key properties of 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one?
2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 360.51 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)pyrimidin-4-yl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 133407718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).