2-chloro-4-(3-methylcyclohexyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine

C13H20ClN3OS — CID 55185785

IUPAC2-chloro-4-(3-methylcyclohexyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine
SMILESCC1CCCC(Sc2nc(Cl)nc(OC(C)C)n2)C1
InChIInChI=1S/C13H20ClN3OS/c1-8(2)18-12-15-11(14)16-13(17-12)19-10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3
InChIKeyAWMGVEWRIZMKAD-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.98
Rot. Bonds4

About 2-chloro-4-(3-methylcyclohexyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine

2-chloro-4-(3-methylcyclohexyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 55185785) has the molecular formula C13H20ClN3OS and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-chloro-4-(3-methylcyclohexyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-methylcyclohexyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine
PubChem CID55185785
Molecular FormulaC13H20ClN3OS
Molecular Weight301.84 g/mol
Exact Mass301.10
IUPAC Name2-chloro-4-(3-methylcyclohexyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine
SMILESCC1CCCC(Sc2nc(Cl)nc(OC(C)C)n2)C1
InChIInChI=1S/C13H20ClN3OS/c1-8(2)18-12-15-11(14)16-13(17-12)19-10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3
InChIKeyAWMGVEWRIZMKAD-UHFFFAOYSA-N
XLogP3.98
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methylcyclohexyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-methylcyclohexyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine (CID 55185785) is 2-chloro-4-(3-methylcyclohexyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-methylcyclohexyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-methylcyclohexyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine is CC1CCCC(Sc2nc(Cl)nc(OC(C)C)n2)C1.
What is the InChIKey of 2-chloro-4-(3-methylcyclohexyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is AWMGVEWRIZMKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3OS/c1-8(2)18-12-15-11(14)16-13(17-12)19-10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-chloro-4-(3-methylcyclohexyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(3-methylcyclohexyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 301.84 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methylcyclohexyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 55185785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).