2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine

C10H13N5S3 — CID 80894797

IUPAC2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
SMILESCCCNc1cc(Sc2ncns2)nc(SC)n1
InChIInChI=1S/C10H13N5S3/c1-3-4-11-7-5-8(15-9(14-7)16-2)17-10-12-6-13-18-10/h5-6H,3-4H2,1-2H3,(H,11,14,15)
InChIKeySIQDRANCCAATNA-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.02
Rot. Bonds6

About 2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine

2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine (PubChem CID 80894797) has the molecular formula C10H13N5S3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
PubChem CID80894797
Molecular FormulaC10H13N5S3
Molecular Weight299.45 g/mol
Exact Mass299.03
IUPAC Name2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
SMILESCCCNc1cc(Sc2ncns2)nc(SC)n1
InChIInChI=1S/C10H13N5S3/c1-3-4-11-7-5-8(15-9(14-7)16-2)17-10-12-6-13-18-10/h5-6H,3-4H2,1-2H3,(H,11,14,15)
InChIKeySIQDRANCCAATNA-UHFFFAOYSA-N
XLogP3.02
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80893301
2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882787
6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80885590
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 106928397
6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107765595
N-methyl-2-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80947049
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107765811
4-N,4-N-dimethyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80765397
2-methylsulfanyl-4-N-(2-methylsulfinylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 113480695
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80771209

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine (CID 80894797) is 2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine is CCCNc1cc(Sc2ncns2)nc(SC)n1.
What is the InChIKey of 2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is SIQDRANCCAATNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S3/c1-3-4-11-7-5-8(15-9(14-7)16-2)17-10-12-6-13-18-10/h5-6H,3-4H2,1-2H3,(H,11,14,15).
What are the key properties of 2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 299.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80894797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).