2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one

C14H13N3O2S — CID 135442793

IUPAC2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(Nc2nc3ccsc3c(=O)[nH]2)c(C)c1
InChIInChI=1S/C14H13N3O2S/c1-8-7-9(19-2)3-4-10(8)15-14-16-11-5-6-20-12(11)13(18)17-14/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeySJNKSOUAEPHZDY-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.05
Rot. Bonds3

About 2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one

2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135442793) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135442793
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(Nc2nc3ccsc3c(=O)[nH]2)c(C)c1
InChIInChI=1S/C14H13N3O2S/c1-8-7-9(19-2)3-4-10(8)15-14-16-11-5-6-20-12(11)13(18)17-14/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeySJNKSOUAEPHZDY-UHFFFAOYSA-N
XLogP3.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine
CID 23575380
2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide
CID 167775688
3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135412294
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide
CID 136532009
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135600522
N-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine
CID 71193819
2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049005
(3R)-7-methoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 136696893
2-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135670638
3-(6-methoxy-1,3-benzothiazol-2-yl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-propylurea
CID 154834382
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one (CID 135442793) is 2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one is COc1ccc(Nc2nc3ccsc3c(=O)[nH]2)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is SJNKSOUAEPHZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-8-7-9(19-2)3-4-10(8)15-14-16-11-5-6-20-12(11)13(18)17-14/h3-7H,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one?
2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 287.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylanilino)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135442793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).