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

C8H9N5S2 — CID 80886006

IUPACN-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCNc1cc(Sc2nnc(C)s2)ncn1
InChIInChI=1S/C8H9N5S2/c1-5-12-13-8(14-5)15-7-3-6(9-2)10-4-11-7/h3-4H,1-2H3,(H,9,10,11)
InChIKeyVERSLRHADGYULQ-UHFFFAOYSA-N
MW239.33 g/mol
LogP1.83
Rot. Bonds3

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

N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 80886006) has the molecular formula C8H9N5S2 and a molecular weight of 239.33 g/mol. Its IUPAC name is N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
PubChem CID80886006
Molecular FormulaC8H9N5S2
Molecular Weight239.33 g/mol
Exact Mass239.03
IUPAC NameN-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCNc1cc(Sc2nnc(C)s2)ncn1
InChIInChI=1S/C8H9N5S2/c1-5-12-13-8(14-5)15-7-3-6(9-2)10-4-11-7/h3-4H,1-2H3,(H,9,10,11)
InChIKeyVERSLRHADGYULQ-UHFFFAOYSA-N
XLogP1.83
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine (CID 80886006) is N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine is CNc1cc(Sc2nnc(C)s2)ncn1.
What is the InChIKey of N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is VERSLRHADGYULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S2/c1-5-12-13-8(14-5)15-7-3-6(9-2)10-4-11-7/h3-4H,1-2H3,(H,9,10,11).
What are the key properties of N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 239.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80886006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).