2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one

C15H14N4O2S2 — CID 146092435

IUPAC2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one
SMILESCn1c(SCc2cc(=O)[nH]c(C3CC3)n2)nc2sccc2c1=O
InChIInChI=1S/C15H14N4O2S2/c1-19-14(21)10-4-5-22-13(10)18-15(19)23-7-9-6-11(20)17-12(16-9)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,16,17,20)
InChIKeySEHNJVSUUGNSEJ-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.25
Rot. Bonds4

About 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 146092435) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID146092435
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one
SMILESCn1c(SCc2cc(=O)[nH]c(C3CC3)n2)nc2sccc2c1=O
InChIInChI=1S/C15H14N4O2S2/c1-19-14(21)10-4-5-22-13(10)18-15(19)23-7-9-6-11(20)17-12(16-9)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,16,17,20)
InChIKeySEHNJVSUUGNSEJ-UHFFFAOYSA-N
XLogP2.25
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one (CID 146092435) is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one is Cn1c(SCc2cc(=O)[nH]c(C3CC3)n2)nc2sccc2c1=O.
What is the InChIKey of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is SEHNJVSUUGNSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-19-14(21)10-4-5-22-13(10)18-15(19)23-7-9-6-11(20)17-12(16-9)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,16,17,20).
What are the key properties of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one?
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 346.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 146092435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).