N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine

C11H12N6S2 — CID 104603999

IUPACN-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2ncnn2C)nc2sccc12
InChIInChI=1S/C11H12N6S2/c1-12-9-7-3-4-18-10(7)16-8(15-9)5-19-11-13-6-14-17(11)2/h3-4,6H,5H2,1-2H3,(H,12,15,16)
InChIKeyHURUEDUAFWZYOC-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.15
Rot. Bonds4

About N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine

N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 104603999) has the molecular formula C11H12N6S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID104603999
Molecular FormulaC11H12N6S2
Molecular Weight292.39 g/mol
Exact Mass292.06
IUPAC NameN-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2ncnn2C)nc2sccc12
InChIInChI=1S/C11H12N6S2/c1-12-9-7-3-4-18-10(7)16-8(15-9)5-19-11-13-6-14-17(11)2/h3-4,6H,5H2,1-2H3,(H,12,15,16)
InChIKeyHURUEDUAFWZYOC-UHFFFAOYSA-N
XLogP2.15
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189107
2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 55045128
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62189283
2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62187683
3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol
CID 104591110
2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62188910
[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63482049
N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 107756644
4-chloro-5,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
CID 104602712
N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63659080
N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63649558
[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336692

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine (CID 104603999) is N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine is CNc1nc(CSc2ncnn2C)nc2sccc12.
What is the InChIKey of N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HURUEDUAFWZYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6S2/c1-12-9-7-3-4-18-10(7)16-8(15-9)5-19-11-13-6-14-17(11)2/h3-4,6H,5H2,1-2H3,(H,12,15,16).
What are the key properties of N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 292.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 104603999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).