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

C9H11N5S3 — CID 80886547

IUPACN-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCNc1cc(Sc2nnc(C)s2)nc(SC)n1
InChIInChI=1S/C9H11N5S3/c1-5-13-14-9(16-5)17-7-4-6(10-2)11-8(12-7)15-3/h4H,1-3H3,(H,10,11,12)
InChIKeyVSRUKAXXQBRTPX-UHFFFAOYSA-N
MW285.42 g/mol
LogP2.55
Rot. Bonds4

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

N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 80886547) has the molecular formula C9H11N5S3 and a molecular weight of 285.42 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
PubChem CID80886547
Molecular FormulaC9H11N5S3
Molecular Weight285.42 g/mol
Exact Mass285.02
IUPAC NameN-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCNc1cc(Sc2nnc(C)s2)nc(SC)n1
InChIInChI=1S/C9H11N5S3/c1-5-13-14-9(16-5)17-7-4-6(10-2)11-8(12-7)15-3/h4H,1-3H3,(H,10,11,12)
InChIKeyVSRUKAXXQBRTPX-UHFFFAOYSA-N
XLogP2.55
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine (CID 80886547) is N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine is CNc1cc(Sc2nnc(C)s2)nc(SC)n1.
What is the InChIKey of N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is VSRUKAXXQBRTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S3/c1-5-13-14-9(16-5)17-7-4-6(10-2)11-8(12-7)15-3/h4H,1-3H3,(H,10,11,12).
What are the key properties of N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 285.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80886547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).