2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine

C13H19Cl2N3O — CID 10709597

IUPAC2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C13H19Cl2N3O/c1-7(2)9-5-4-8(3)6-10(9)19-13-17-11(14)16-12(15)18-13/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyKDPFCBDUZPRLPG-KXUCPTDWSA-N
MW304.22 g/mol
LogP4.02
Rot. Bonds3

About 2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine

2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine (PubChem CID 10709597) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine
PubChem CID10709597
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C13H19Cl2N3O/c1-7(2)9-5-4-8(3)6-10(9)19-13-17-11(14)16-12(15)18-13/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyKDPFCBDUZPRLPG-KXUCPTDWSA-N
XLogP4.02
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine (CID 10709597) is 2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine?
The InChIKey is KDPFCBDUZPRLPG-KXUCPTDWSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-7(2)9-5-4-8(3)6-10(9)19-13-17-11(14)16-12(15)18-13/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m1/s1.
What are the key properties of 2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine?
2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine has a molecular weight of 304.22 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,3,5-triazine is sourced from PubChem (CID 10709597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).