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

C10H13N5S2 — CID 139230763

IUPAC2-methyl-5-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
SMILESCCCSc1nnc(-c2cnc(C)nc2N)s1
InChIInChI=1S/C10H13N5S2/c1-3-4-16-10-15-14-9(17-10)7-5-12-6(2)13-8(7)11/h5H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyGUQQBYDFDDMVED-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.39
Rot. Bonds4

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

2-methyl-5-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine (PubChem CID 139230763) has the molecular formula C10H13N5S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-methyl-5-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
PubChem CID139230763
Molecular FormulaC10H13N5S2
Molecular Weight267.38 g/mol
Exact Mass267.06
IUPAC Name2-methyl-5-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
SMILESCCCSc1nnc(-c2cnc(C)nc2N)s1
InChIInChI=1S/C10H13N5S2/c1-3-4-16-10-15-14-9(17-10)7-5-12-6(2)13-8(7)11/h5H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyGUQQBYDFDDMVED-UHFFFAOYSA-N
XLogP2.39
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-Methyl-5-({[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio}methyl)-4-pyrimidinamine
CID 2973713
5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 50963822
2-Pyrimidin-5-yl-5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-thiadiazole
CID 21653184
2-(Difluoromethylsulfanyl)-5-pyrimidin-5-yl-1,3,4-thiadiazole
CID 21653187
2-Methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
CID 139230761
5-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine
CID 139230762
5-(5-Butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine
CID 139230764
2-Methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
CID 139230765
1-[[5-(4-Amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-one
CID 139230766
2-Methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine
CID 139230767
5-[5-(2-Ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine
CID 139230768
5-[5-(3,3-Dimethoxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine
CID 139230769

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine (CID 139230763) is 2-methyl-5-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine is CCCSc1nnc(-c2cnc(C)nc2N)s1.
What is the InChIKey of 2-methyl-5-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine?
The InChIKey is GUQQBYDFDDMVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S2/c1-3-4-16-10-15-14-9(17-10)7-5-12-6(2)13-8(7)11/h5H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-methyl-5-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine?
2-methyl-5-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 2.39, 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-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 139230763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).