4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine

C8H9N5S2 — CID 112726054

IUPAC4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1cc(Sc2nnc(C)s2)nc(N)n1
InChIInChI=1S/C8H9N5S2/c1-4-3-6(11-7(9)10-4)15-8-13-12-5(2)14-8/h3H,1-2H3,(H2,9,10,11)
InChIKeyBUXVZPNWRVUXCT-UHFFFAOYSA-N
MW239.33 g/mol
LogP1.68
Rot. Bonds2

About 4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine

4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine (PubChem CID 112726054) has the molecular formula C8H9N5S2 and a molecular weight of 239.33 g/mol. Its IUPAC name is 4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
PubChem CID112726054
Molecular FormulaC8H9N5S2
Molecular Weight239.33 g/mol
Exact Mass239.03
IUPAC Name4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1cc(Sc2nnc(C)s2)nc(N)n1
InChIInChI=1S/C8H9N5S2/c1-4-3-6(11-7(9)10-4)15-8-13-12-5(2)14-8/h3H,1-2H3,(H2,9,10,11)
InChIKeyBUXVZPNWRVUXCT-UHFFFAOYSA-N
XLogP1.68
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 47158888
4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine
CID 80894692
N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide
CID 137013908
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 62481556
[2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80922686
N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886273
N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886547
4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882973
4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine
CID 112724397
2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 61229579
5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931417
4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 140629054

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine (CID 112726054) is 4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine is Cc1cc(Sc2nnc(C)s2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The InChIKey is BUXVZPNWRVUXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S2/c1-4-3-6(11-7(9)10-4)15-8-13-12-5(2)14-8/h3H,1-2H3,(H2,9,10,11).
What are the key properties of 4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine has a molecular weight of 239.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 112726054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).