2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one

C13H13N5OS2 — CID 136678143

IUPAC2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1cc2c(Sc3nc(C)cc(=O)[nH]3)nc(N)nc2s1
InChIInChI=1S/C13H13N5OS2/c1-3-7-5-8-10(20-7)17-12(14)18-11(8)21-13-15-6(2)4-9(19)16-13/h4-5H,3H2,1-2H3,(H2,14,17,18)(H,15,16,19)
InChIKeyCYOOWTLICHKSEG-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.38
Rot. Bonds3

About 2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one

2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 136678143) has the molecular formula C13H13N5OS2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
PubChem CID136678143
Molecular FormulaC13H13N5OS2
Molecular Weight319.42 g/mol
Exact Mass319.06
IUPAC Name2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1cc2c(Sc3nc(C)cc(=O)[nH]3)nc(N)nc2s1
InChIInChI=1S/C13H13N5OS2/c1-3-7-5-8-10(20-7)17-12(14)18-11(8)21-13-15-6(2)4-9(19)16-13/h4-5H,3H2,1-2H3,(H2,14,17,18)(H,15,16,19)
InChIKeyCYOOWTLICHKSEG-UHFFFAOYSA-N
XLogP2.38
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one (CID 136678143) is 2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one is CCc1cc2c(Sc3nc(C)cc(=O)[nH]3)nc(N)nc2s1.
What is the InChIKey of 2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CYOOWTLICHKSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS2/c1-3-7-5-8-10(20-7)17-12(14)18-11(8)21-13-15-6(2)4-9(19)16-13/h4-5H,3H2,1-2H3,(H2,14,17,18)(H,15,16,19).
What are the key properties of 2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 319.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136678143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).