2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C15H15N3O3S2 — CID 25107641

IUPAC2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(OC)c(Sc2c(C)sc3nc(N)[nH]c(=O)c23)c1
InChIInChI=1S/C15H15N3O3S2/c1-7-12(11-13(19)17-15(16)18-14(11)22-7)23-10-6-8(20-2)4-5-9(10)21-3/h4-6H,1-3H3,(H3,16,17,18,19)
InChIKeyBFZVAKYVZOTJRV-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.04
Rot. Bonds4

About 2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 25107641) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID25107641
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(OC)c(Sc2c(C)sc3nc(N)[nH]c(=O)c23)c1
InChIInChI=1S/C15H15N3O3S2/c1-7-12(11-13(19)17-15(16)18-14(11)22-7)23-10-6-8(20-2)4-5-9(10)21-3/h4-6H,1-3H3,(H3,16,17,18,19)
InChIKeyBFZVAKYVZOTJRV-UHFFFAOYSA-N
XLogP3.04
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 25107641) is 2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is COc1ccc(OC)c(Sc2c(C)sc3nc(N)[nH]c(=O)c23)c1.
What is the InChIKey of 2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is BFZVAKYVZOTJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-7-12(11-13(19)17-15(16)18-14(11)22-7)23-10-6-8(20-2)4-5-9(10)21-3/h4-6H,1-3H3,(H3,16,17,18,19).
What are the key properties of 2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 349.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 25107641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).