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

C10H17ClN4S — CID 107765830

IUPAC4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(SCC(C)CC)n1
InChIInChI=1S/C10H17ClN4S/c1-4-7(3)6-16-10-14-8(11)13-9(15-10)12-5-2/h7H,4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyWLFHBEXRIDQTBG-UHFFFAOYSA-N
MW260.79 g/mol
LogP3.10
Rot. Bonds6

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

4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 107765830) has the molecular formula C10H17ClN4S and a molecular weight of 260.79 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID107765830
Molecular FormulaC10H17ClN4S
Molecular Weight260.79 g/mol
Exact Mass260.09
IUPAC Name4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(SCC(C)CC)n1
InChIInChI=1S/C10H17ClN4S/c1-4-7(3)6-16-10-14-8(11)13-9(15-10)12-5-2/h7H,4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyWLFHBEXRIDQTBG-UHFFFAOYSA-N
XLogP3.10
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
CID 107765701
2,4-dichloro-6-(2-methylbutylsulfanyl)-1,3,5-triazine
CID 107751258
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine
CID 103291573
N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine
CID 118921040
2-chloro-4-(2-methylbutylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 107751243
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80890385
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
3-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 66105828
4-chloro-N-ethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80886104

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine (CID 107765830) is 4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(SCC(C)CC)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is WLFHBEXRIDQTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4S/c1-4-7(3)6-16-10-14-8(11)13-9(15-10)12-5-2/h7H,4-6H2,1-3H3,(H,12,13,14,15).
What are the key properties of 4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 260.79 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 107765830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).