3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one

C14H13N3O2S — CID 900061

IUPAC3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3nc(C)n(N)c(=O)c3s2)cc1
InChIInChI=1S/C14H13N3O2S/c1-8-16-11-7-12(20-13(11)14(18)17(8)15)9-3-5-10(19-2)6-4-9/h3-7H,15H2,1-2H3
InChIKeyVEQIIMPGMOJEOE-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.16
Rot. Bonds2

About 3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one

3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 900061) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID900061
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3nc(C)n(N)c(=O)c3s2)cc1
InChIInChI=1S/C14H13N3O2S/c1-8-16-11-7-12(20-13(11)14(18)17(8)15)9-3-5-10(19-2)6-4-9/h3-7H,15H2,1-2H3
InChIKeyVEQIIMPGMOJEOE-UHFFFAOYSA-N
XLogP2.16
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one (CID 900061) is 3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one is COc1ccc(-c2cc3nc(C)n(N)c(=O)c3s2)cc1.
What is the InChIKey of 3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is VEQIIMPGMOJEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-8-16-11-7-12(20-13(11)14(18)17(8)15)9-3-5-10(19-2)6-4-9/h3-7H,15H2,1-2H3.
What are the key properties of 3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one?
3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 287.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 900061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).