6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine

C14H22N4S2 — CID 103328043

IUPAC6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCC(C)CSC)nc(NC)nc2s1
InChIInChI=1S/C14H22N4S2/c1-5-10-6-11-12(16-7-9(2)8-19-4)17-14(15-3)18-13(11)20-10/h6,9H,5,7-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyHIHQPBVXHMCGHZ-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.71
Rot. Bonds7

About 6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328043) has the molecular formula C14H22N4S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328043
Molecular FormulaC14H22N4S2
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC Name6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCC(C)CSC)nc(NC)nc2s1
InChIInChI=1S/C14H22N4S2/c1-5-10-6-11-12(16-7-9(2)8-19-4)17-14(15-3)18-13(11)20-10/h6,9H,5,7-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyHIHQPBVXHMCGHZ-UHFFFAOYSA-N
XLogP3.71
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine 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 6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103328043) is 6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NCC(C)CSC)nc(NC)nc2s1.
What is the InChIKey of 6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is HIHQPBVXHMCGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2/c1-5-10-6-11-12(16-7-9(2)8-19-4)17-14(15-3)18-13(11)20-10/h6,9H,5,7-8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 310.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).