2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine

C14H22ClN3O2 — CID 64745938

IUPAC2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(OC2CCC(C)C(C)C2)n1
InChIInChI=1S/C14H22ClN3O2/c1-8(2)19-13-16-12(15)17-14(18-13)20-11-6-5-9(3)10(4)7-11/h8-11H,5-7H2,1-4H3
InChIKeyUTDNDXIWPWCXHA-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.52
Rot. Bonds4

About 2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine

2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 64745938) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine
PubChem CID64745938
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(OC2CCC(C)C(C)C2)n1
InChIInChI=1S/C14H22ClN3O2/c1-8(2)19-13-16-12(15)17-14(18-13)20-11-6-5-9(3)10(4)7-11/h8-11H,5-7H2,1-4H3
InChIKeyUTDNDXIWPWCXHA-UHFFFAOYSA-N
XLogP3.52
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine (CID 64745938) is 2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine is CC(C)Oc1nc(Cl)nc(OC2CCC(C)C(C)C2)n1.
What is the InChIKey of 2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is UTDNDXIWPWCXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-8(2)19-13-16-12(15)17-14(18-13)20-11-6-5-9(3)10(4)7-11/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 299.80 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 64745938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).