4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine

C10H15ClN4OS — CID 106494848

IUPAC4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(SCC2CCCO2)n1
InChIInChI=1S/C10H15ClN4OS/c1-15(2)9-12-8(11)13-10(14-9)17-6-7-4-3-5-16-7/h7H,3-6H2,1-2H3
InChIKeyCUFYVIAUSODGSR-UHFFFAOYSA-N
MW274.78 g/mol
LogP1.86
Rot. Bonds4

About 4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine

4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 106494848) has the molecular formula C10H15ClN4OS and a molecular weight of 274.78 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID106494848
Molecular FormulaC10H15ClN4OS
Molecular Weight274.78 g/mol
Exact Mass274.07
IUPAC Name4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(SCC2CCCO2)n1
InChIInChI=1S/C10H15ClN4OS/c1-15(2)9-12-8(11)13-10(14-9)17-6-7-4-3-5-16-7/h7H,3-6H2,1-2H3
InChIKeyCUFYVIAUSODGSR-UHFFFAOYSA-N
XLogP1.86
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydrazinyl-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106498020
N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106497966
4-chloro-6-cyclohexylsulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62867904
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855
5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole
CID 130639077
3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 4257341
6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile
CID 107551519
3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine
CID 3671758
4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
CID 106497876
2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494885
2-N,2-N,4-N,5,6-pentamethyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 95124889
6-chloro-2-N,2-N-diethyl-4-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 62864492

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine (CID 106494848) is 4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(SCC2CCCO2)n1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is CUFYVIAUSODGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4OS/c1-15(2)9-12-8(11)13-10(14-9)17-6-7-4-3-5-16-7/h7H,3-6H2,1-2H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 274.78 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106494848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).