6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine

C14H13N3O2S2 — CID 166175743

IUPAC6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3ccc(S(C)(=O)=O)cc3)ncnc2s1
InChIInChI=1S/C14H13N3O2S2/c1-9-7-12-13(15-8-16-14(12)20-9)17-10-3-5-11(6-4-10)21(2,18)19/h3-8H,1-2H3,(H,15,16,17)
InChIKeyQVQHWPLHUNEREE-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.15
Rot. Bonds3

About 6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine

6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 166175743) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID166175743
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3ccc(S(C)(=O)=O)cc3)ncnc2s1
InChIInChI=1S/C14H13N3O2S2/c1-9-7-12-13(15-8-16-14(12)20-9)17-10-3-5-11(6-4-10)21(2,18)19/h3-8H,1-2H3,(H,15,16,17)
InChIKeyQVQHWPLHUNEREE-UHFFFAOYSA-N
XLogP3.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 166175743) is 6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(Nc3ccc(S(C)(=O)=O)cc3)ncnc2s1.
What is the InChIKey of 6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QVQHWPLHUNEREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-9-7-12-13(15-8-16-14(12)20-9)17-10-3-5-11(6-4-10)21(2,18)19/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of 6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine?
6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 319.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166175743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).