2-methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine

C10H11N5S2 — CID 139230765

IUPAC2-methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
SMILESC=CCSc1nnc(-c2cnc(C)nc2N)s1
InChIInChI=1S/C10H11N5S2/c1-3-4-16-10-15-14-9(17-10)7-5-12-6(2)13-8(7)11/h3,5H,1,4H2,2H3,(H2,11,12,13)
InChIKeySYDRUSUJTUOIAZ-UHFFFAOYSA-N
MW265.37 g/mol
LogP2.16
Rot. Bonds4

About 2-methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine

2-methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine (PubChem CID 139230765) has the molecular formula C10H11N5S2 and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
PubChem CID139230765
Molecular FormulaC10H11N5S2
Molecular Weight265.37 g/mol
Exact Mass265.05
IUPAC Name2-methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
SMILESC=CCSc1nnc(-c2cnc(C)nc2N)s1
InChIInChI=1S/C10H11N5S2/c1-3-4-16-10-15-14-9(17-10)7-5-12-6(2)13-8(7)11/h3,5H,1,4H2,2H3,(H2,11,12,13)
InChIKeySYDRUSUJTUOIAZ-UHFFFAOYSA-N
XLogP2.16
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine (CID 139230765) is 2-methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine is C=CCSc1nnc(-c2cnc(C)nc2N)s1.
What is the InChIKey of 2-methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine?
The InChIKey is SYDRUSUJTUOIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S2/c1-3-4-16-10-15-14-9(17-10)7-5-12-6(2)13-8(7)11/h3,5H,1,4H2,2H3,(H2,11,12,13).
What are the key properties of 2-methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine?
2-methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine has a molecular weight of 265.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 139230765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).