7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

C19H19N5O3S2 — CID 126495658

IUPAC7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(S(C)(=O)=O)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C19H19N5O3S2/c1-11-17(14-6-5-13(29(4,25)26)7-15(14)27-3)18-16(28-11)9-20-19(23-18)22-12-8-21-24(2)10-12/h5-10H,1-4H3,(H,20,22,23)
InChIKeyVKGVDXFXRUSSJB-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.56
Rot. Bonds5

About 7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 126495658) has the molecular formula C19H19N5O3S2 and a molecular weight of 429.53 g/mol. Its IUPAC name is 7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID126495658
Molecular FormulaC19H19N5O3S2
Molecular Weight429.53 g/mol
Exact Mass429.09
IUPAC Name7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(S(C)(=O)=O)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C19H19N5O3S2/c1-11-17(14-6-5-13(29(4,25)26)7-15(14)27-3)18-16(28-11)9-20-19(23-18)22-12-8-21-24(2)10-12/h5-10H,1-4H3,(H,20,22,23)
InChIKeyVKGVDXFXRUSSJB-UHFFFAOYSA-N
XLogP3.56
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (CID 126495658) is 7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is COc1cc(S(C)(=O)=O)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.
What is the InChIKey of 7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is VKGVDXFXRUSSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S2/c1-11-17(14-6-5-13(29(4,25)26)7-15(14)27-3)18-16(28-11)9-20-19(23-18)22-12-8-21-24(2)10-12/h5-10H,1-4H3,(H,20,22,23).
What are the key properties of 7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 429.53 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 126495658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).