N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine

C9H11N5S2 — CID 80655256

IUPACN,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine
SMILESCNc1cc(C)nc(CSc2ncns2)n1
InChIInChI=1S/C9H11N5S2/c1-6-3-7(10-2)14-8(13-6)4-15-9-11-5-12-16-9/h3,5H,4H2,1-2H3,(H,10,13,14)
InChIKeyXTXFRMGSNMEDIV-UHFFFAOYSA-N
MW253.36 g/mol
LogP1.97
Rot. Bonds4

About N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine

N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 80655256) has the molecular formula C9H11N5S2 and a molecular weight of 253.36 g/mol. Its IUPAC name is N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine
PubChem CID80655256
Molecular FormulaC9H11N5S2
Molecular Weight253.36 g/mol
Exact Mass253.05
IUPAC NameN,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine
SMILESCNc1cc(C)nc(CSc2ncns2)n1
InChIInChI=1S/C9H11N5S2/c1-6-3-7(10-2)14-8(13-6)4-15-9-11-5-12-16-9/h3,5H,4H2,1-2H3,(H,10,13,14)
InChIKeyXTXFRMGSNMEDIV-UHFFFAOYSA-N
XLogP1.97
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 80653863
2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66065128
N,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine
CID 80654482
N-methyl-2-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80947049
2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66153137
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 80655030
6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine
CID 115383635
N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80654917
2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80653912
N-methyl-2-phenyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 115916088
4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one
CID 80654666

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine (CID 80655256) is N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine is CNc1cc(C)nc(CSc2ncns2)n1.
What is the InChIKey of N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is XTXFRMGSNMEDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S2/c1-6-3-7(10-2)14-8(13-6)4-15-9-11-5-12-16-9/h3,5H,4H2,1-2H3,(H,10,13,14).
What are the key properties of N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine?
N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 253.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80655256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).