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

C7H7ClN6S — CID 131062511

IUPAC6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCc2cnns2)n1
InChIInChI=1S/C7H7ClN6S/c8-5-1-6(13-7(9)12-5)10-2-4-3-11-14-15-4/h1,3H,2H2,(H3,9,10,12,13)
InChIKeyJXBBODKLKDQHQK-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.18
Rot. Bonds3

About 6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine

6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 131062511) has the molecular formula C7H7ClN6S and a molecular weight of 242.69 g/mol. Its IUPAC name is 6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine
PubChem CID131062511
Molecular FormulaC7H7ClN6S
Molecular Weight242.69 g/mol
Exact Mass242.01
IUPAC Name6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCc2cnns2)n1
InChIInChI=1S/C7H7ClN6S/c8-5-1-6(13-7(9)12-5)10-2-4-3-11-14-15-4/h1,3H,2H2,(H3,9,10,12,13)
InChIKeyJXBBODKLKDQHQK-UHFFFAOYSA-N
XLogP1.18
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine (CID 131062511) is 6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine is Nc1nc(Cl)cc(NCc2cnns2)n1.
What is the InChIKey of 6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is JXBBODKLKDQHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6S/c8-5-1-6(13-7(9)12-5)10-2-4-3-11-14-15-4/h1,3H,2H2,(H3,9,10,12,13).
What are the key properties of 6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine?
6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 242.69 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 131062511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).