2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

C14H13N3OS — CID 82055590

IUPAC2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(N)[nH]c(=O)c23)cc1C
InChIInChI=1S/C14H13N3OS/c1-7-3-4-9(5-8(7)2)10-6-19-13-11(10)12(18)16-14(15)17-13/h3-6H,1-2H3,(H3,15,16,17,18)
InChIKeyUECOOFUJRZDOMW-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.85
Rot. Bonds1

About 2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 82055590) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID82055590
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(N)[nH]c(=O)c23)cc1C
InChIInChI=1S/C14H13N3OS/c1-7-3-4-9(5-8(7)2)10-6-19-13-11(10)12(18)16-14(15)17-13/h3-6H,1-2H3,(H3,15,16,17,18)
InChIKeyUECOOFUJRZDOMW-UHFFFAOYSA-N
XLogP2.85
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055587
5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868432
3-[[5-(3,4-dimethylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 166185433
N-cyclopropyl-4-[5-(3,4-dimethylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]benzenesulfonamide
CID 52672455
5-(3,4-dimethylphenyl)-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 60518493
5-(3,4-dimethylphenyl)-2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 167900925
5-(3,4-dimethylphenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 4962382
2-(1-chloroethyl)-5-(2,5-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 43084627
5-(3,4-dimethylphenyl)-2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-methylpropyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 42839466
2-(1-chloroethyl)-5-(2,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 43084626
2-[[5-(4-chloro-3-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetic acid
CID 28899537
2-[[cyclohexyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]methyl]-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 46018093

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 82055590) is 2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3nc(N)[nH]c(=O)c23)cc1C.
What is the InChIKey of 2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is UECOOFUJRZDOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-7-3-4-9(5-8(7)2)10-6-19-13-11(10)12(18)16-14(15)17-13/h3-6H,1-2H3,(H3,15,16,17,18).
What are the key properties of 2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 271.35 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 82055590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).