6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

C12H15N7S — CID 103327111

IUPAC6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NC(C)c3nncn3C)nc(N)nc2s1
InChIInChI=1S/C12H15N7S/c1-6-4-8-9(16-12(13)17-11(8)20-6)15-7(2)10-18-14-5-19(10)3/h4-5,7H,1-3H3,(H3,13,15,16,17)
InChIKeyIJIRMNCGBPHSBY-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.88
Rot. Bonds3

About 6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327111) has the molecular formula C12H15N7S and a molecular weight of 289.37 g/mol. Its IUPAC name is 6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327111
Molecular FormulaC12H15N7S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC Name6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NC(C)c3nncn3C)nc(N)nc2s1
InChIInChI=1S/C12H15N7S/c1-6-4-8-9(16-12(13)17-11(8)20-6)15-7(2)10-18-14-5-19(10)3/h4-5,7H,1-3H3,(H3,13,15,16,17)
InChIKeyIJIRMNCGBPHSBY-UHFFFAOYSA-N
XLogP1.88
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-[1-(4-fluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326091
4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326112
6-methyl-4-N-(1-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327402
6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328266
6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327997
6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325883
4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329700
4-N-(1-cyclopentylethyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328103
6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-7H-purine-2,6-diamine
CID 104623322
5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
CID 62118812
4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 62117357
2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 62118630

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327111) is 6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is Cc1cc2c(NC(C)c3nncn3C)nc(N)nc2s1.
What is the InChIKey of 6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is IJIRMNCGBPHSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7S/c1-6-4-8-9(16-12(13)17-11(8)20-6)15-7(2)10-18-14-5-19(10)3/h4-5,7H,1-3H3,(H3,13,15,16,17).
What are the key properties of 6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 289.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).