2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine

C8H11N7S2 — CID 80613552

IUPAC2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine
SMILESCNc1nnc(CSc2nc(N)cc(N)n2)s1
InChIInChI=1S/C8H11N7S2/c1-11-7-15-14-6(17-7)3-16-8-12-4(9)2-5(10)13-8/h2H,3H2,1H3,(H,11,15)(H4,9,10,12,13)
InChIKeyQRFLWJGQPBUWJS-UHFFFAOYSA-N
MW269.36 g/mol
LogP0.83
Rot. Bonds4

About 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine

2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine (PubChem CID 80613552) has the molecular formula C8H11N7S2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine
PubChem CID80613552
Molecular FormulaC8H11N7S2
Molecular Weight269.36 g/mol
Exact Mass269.05
IUPAC Name2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine
SMILESCNc1nnc(CSc2nc(N)cc(N)n2)s1
InChIInChI=1S/C8H11N7S2/c1-11-7-15-14-6(17-7)3-16-8-12-4(9)2-5(10)13-8/h2H,3H2,1H3,(H,11,15)(H4,9,10,12,13)
InChIKeyQRFLWJGQPBUWJS-UHFFFAOYSA-N
XLogP0.83
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
CID 80614345
N-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
CID 80613759
5-[(2-amino-1,3-thiazol-4-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 1383638
2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine
CID 79239232
2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione
CID 107786715
N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 139565225
[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 102925881
5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
CID 80614450
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 40829981
2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 55044667
[5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614812
5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80614571

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine (CID 80613552) is 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine is CNc1nnc(CSc2nc(N)cc(N)n2)s1.
What is the InChIKey of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine?
The InChIKey is QRFLWJGQPBUWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7S2/c1-11-7-15-14-6(17-7)3-16-8-12-4(9)2-5(10)13-8/h2H,3H2,1H3,(H,11,15)(H4,9,10,12,13).
What are the key properties of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine?
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine has a molecular weight of 269.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80613552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).