3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one

C13H11N3OS — CID 829334

IUPAC3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sc(-c3ccccc3)cc2c(=O)n1N
InChIInChI=1S/C13H11N3OS/c1-8-15-12-10(13(17)16(8)14)7-11(18-12)9-5-3-2-4-6-9/h2-7H,14H2,1H3
InChIKeyMOBMYMHZBSTZQV-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.15
Rot. Bonds1

About 3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one

3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 829334) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID829334
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sc(-c3ccccc3)cc2c(=O)n1N
InChIInChI=1S/C13H11N3OS/c1-8-15-12-10(13(17)16(8)14)7-11(18-12)9-5-3-2-4-6-9/h2-7H,14H2,1H3
InChIKeyMOBMYMHZBSTZQV-UHFFFAOYSA-N
XLogP2.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4H-Cyclopenta(4,5)thieno(2,3-d)pyrimidin-4-one, 3,5,6,7-tetrahydro-3-amino-2-methyl-
CID 211240
Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-2-methyl-5-phenyl-
CID 206184
4H-Cyclopenta(4,5)thieno(2,3-d)pyrimidin-4-one, 3,5,6,7-tetrahydro-3-amino-2-(phenylmethyl)-
CID 915997
2-[({4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]acetic acid
CID 2414076
3-Amino-3,5,6,7,8,9-hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one
CID 2168926
4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-phenyl-
CID 833735
5,6,7,8-Tetrahydro-2-phenyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
CID 209396
3-Amino-5,6,7,8-tetrahydro-2-methyl(1)benzothieno(2,3-d)pyrimidin-4(3H)-one
CID 206185
5-Methyl-6-phenylthieno[2,3-d]pyrimidin-4(1H)-one
CID 673139
2-(chloromethyl)-6-methyl-5-phenyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 2393069
2-methyl-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 3301641
3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 793586

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one (CID 829334) is 3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one is Cc1nc2sc(-c3ccccc3)cc2c(=O)n1N.
What is the InChIKey of 3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is MOBMYMHZBSTZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-15-12-10(13(17)16(8)14)7-11(18-12)9-5-3-2-4-6-9/h2-7H,14H2,1H3.
What are the key properties of 3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one?
3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 257.32 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 829334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).