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

C12H17N5S3 — CID 115383635

IUPAC6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CSc2nnc(SC)s2)n1
InChIInChI=1S/C12H17N5S3/c1-4-5-13-9-6-8(2)14-10(15-9)7-19-12-17-16-11(18-3)20-12/h6H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyWUKDKFFFTQSQJE-UHFFFAOYSA-N
MW327.50 g/mol
LogP3.47
Rot. Bonds7

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

6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine (PubChem CID 115383635) has the molecular formula C12H17N5S3 and a molecular weight of 327.50 g/mol. Its IUPAC name is 6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine
PubChem CID115383635
Molecular FormulaC12H17N5S3
Molecular Weight327.50 g/mol
Exact Mass327.06
IUPAC Name6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CSc2nnc(SC)s2)n1
InChIInChI=1S/C12H17N5S3/c1-4-5-13-9-6-8(2)14-10(15-9)7-19-12-17-16-11(18-3)20-12/h6H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyWUKDKFFFTQSQJE-UHFFFAOYSA-N
XLogP3.47
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine with MolForge

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Related Compounds

2-[(4-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66065324
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 80653863
2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80654078
N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 80655030
4-ethyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 80664663
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine
CID 115384424
6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 8911520
6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine
CID 80657528
2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80893301
N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 115383292
N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65129176

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine (CID 115383635) is 6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(CSc2nnc(SC)s2)n1.
What is the InChIKey of 6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine?
The InChIKey is WUKDKFFFTQSQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S3/c1-4-5-13-9-6-8(2)14-10(15-9)7-19-12-17-16-11(18-3)20-12/h6H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine?
6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine has a molecular weight of 327.50 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115383635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).