2-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine

C7H8N6S — CID 130856051

IUPAC2-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(NCc2cnns2)n1
InChIInChI=1S/C7H8N6S/c8-6-1-2-9-7(12-6)10-3-5-4-11-13-14-5/h1-2,4H,3H2,(H3,8,9,10,12)
InChIKeyZLBNMWRMQFXEPS-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.52
Rot. Bonds3

About 2-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine

2-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 130856051) has the molecular formula C7H8N6S and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine
PubChem CID130856051
Molecular FormulaC7H8N6S
Molecular Weight208.25 g/mol
Exact Mass208.05
IUPAC Name2-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(NCc2cnns2)n1
InChIInChI=1S/C7H8N6S/c8-6-1-2-9-7(12-6)10-3-5-4-11-13-14-5/h1-2,4H,3H2,(H3,8,9,10,12)
InChIKeyZLBNMWRMQFXEPS-UHFFFAOYSA-N
XLogP0.52
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine (CID 130856051) is 2-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine is Nc1ccnc(NCc2cnns2)n1.
What is the InChIKey of 2-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is ZLBNMWRMQFXEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6S/c8-6-1-2-9-7(12-6)10-3-5-4-11-13-14-5/h1-2,4H,3H2,(H3,8,9,10,12).
What are the key properties of 2-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine?
2-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 208.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 130856051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).