4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine

C9H15ClN4S — CID 107765701

IUPAC4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCC(C)CSc1nc(Cl)nc(NC)n1
InChIInChI=1S/C9H15ClN4S/c1-4-6(2)5-15-9-13-7(10)12-8(11-3)14-9/h6H,4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyCQPKWIYWVLRGAL-UHFFFAOYSA-N
MW246.77 g/mol
LogP2.70
Rot. Bonds5

About 4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine

4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 107765701) has the molecular formula C9H15ClN4S and a molecular weight of 246.77 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID107765701
Molecular FormulaC9H15ClN4S
Molecular Weight246.77 g/mol
Exact Mass246.07
IUPAC Name4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCC(C)CSc1nc(Cl)nc(NC)n1
InChIInChI=1S/C9H15ClN4S/c1-4-6(2)5-15-9-13-7(10)12-8(11-3)14-9/h6H,4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyCQPKWIYWVLRGAL-UHFFFAOYSA-N
XLogP2.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
CID 107765830
2,4-dichloro-6-(2-methylbutylsulfanyl)-1,3,5-triazine
CID 107751258
4-chloro-N-methyl-6-octylsulfanyl-1,3,5-triazin-2-amine
CID 167281206
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 114235169
2-chloro-4-(2-methylbutylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 107751243
4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 70472300
3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 66105828
4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80887039
5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine
CID 107765747
3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80891366
4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80866278
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80891698

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine (CID 107765701) is 4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine is CCC(C)CSc1nc(Cl)nc(NC)n1.
What is the InChIKey of 4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is CQPKWIYWVLRGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4S/c1-4-6(2)5-15-9-13-7(10)12-8(11-3)14-9/h6H,4-5H2,1-3H3,(H,11,12,13,14).
What are the key properties of 4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine?
4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 246.77 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 107765701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).