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

C9H11N5S2 — CID 80885910

IUPAC2,5-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(Sc2nnc(C)s2)n1
InChIInChI=1S/C9H11N5S2/c1-4-7(10)11-5(2)12-8(4)16-9-14-13-6(3)15-9/h1-3H3,(H2,10,11,12)
InChIKeyLXNMCKNMUSJLPF-UHFFFAOYSA-N
MW253.36 g/mol
LogP1.99
Rot. Bonds2

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

2,5-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 80885910) has the molecular formula C9H11N5S2 and a molecular weight of 253.36 g/mol. Its IUPAC name is 2,5-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
PubChem CID80885910
Molecular FormulaC9H11N5S2
Molecular Weight253.36 g/mol
Exact Mass253.05
IUPAC Name2,5-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(Sc2nnc(C)s2)n1
InChIInChI=1S/C9H11N5S2/c1-4-7(10)11-5(2)12-8(4)16-9-14-13-6(3)15-9/h1-3H3,(H2,10,11,12)
InChIKeyLXNMCKNMUSJLPF-UHFFFAOYSA-N
XLogP1.99
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 115384405
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 80978200
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
4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 112726054
2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
CID 64624757
2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80892419
2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885765
2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62870633
2,5-dimethyl-6-propylsulfanylpyrimidin-4-amine
CID 80887950
2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80893548
4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 47158888

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine (CID 80885910) is 2,5-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine is Cc1nc(N)c(C)c(Sc2nnc(C)s2)n1.
What is the InChIKey of 2,5-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is LXNMCKNMUSJLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S2/c1-4-7(10)11-5(2)12-8(4)16-9-14-13-6(3)15-9/h1-3H3,(H2,10,11,12).
What are the key properties of 2,5-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
2,5-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 253.36 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80885910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).