N,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine

C14H21N3O2S2 — CID 91661011

IUPACN,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N(C)CC(C)(C)S(C)(=O)=O)c2c(C)csc2n1
InChIInChI=1S/C14H21N3O2S2/c1-9-7-20-13-11(9)12(15-10(2)16-13)17(5)8-14(3,4)21(6,18)19/h7H,8H2,1-6H3
InChIKeyJUPYNPZMUMHYBQ-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.57
Rot. Bonds4

About N,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine

N,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 91661011) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is N,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID91661011
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC NameN,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N(C)CC(C)(C)S(C)(=O)=O)c2c(C)csc2n1
InChIInChI=1S/C14H21N3O2S2/c1-9-7-20-13-11(9)12(15-10(2)16-13)17(5)8-14(3,4)21(6,18)19/h7H,8H2,1-6H3
InChIKeyJUPYNPZMUMHYBQ-UHFFFAOYSA-N
XLogP2.57
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-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 N,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 91661011) is N,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine is Cc1nc(N(C)CC(C)(C)S(C)(=O)=O)c2c(C)csc2n1.
What is the InChIKey of N,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JUPYNPZMUMHYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-9-7-20-13-11(9)12(15-10(2)16-13)17(5)8-14(3,4)21(6,18)19/h7H,8H2,1-6H3.
What are the key properties of N,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine?
N,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 327.48 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91661011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).