4-chloro-N,N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazin-2-amine

C12H19ClN4O — CID 62868910

IUPAC4-chloro-N,N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
SMILESCC1CCC(Oc2nc(Cl)nc(N(C)C)n2)CC1
InChIInChI=1S/C12H19ClN4O/c1-8-4-6-9(7-5-8)18-12-15-10(13)14-11(16-12)17(2)3/h8-9H,4-7H2,1-3H3
InChIKeyBPDPQBJBTYRXRO-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.55
Rot. Bonds3

About 4-chloro-N,N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazin-2-amine

4-chloro-N,N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazin-2-amine (PubChem CID 62868910) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
PubChem CID62868910
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-chloro-N,N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
SMILESCC1CCC(Oc2nc(Cl)nc(N(C)C)n2)CC1
InChIInChI=1S/C12H19ClN4O/c1-8-4-6-9(7-5-8)18-12-15-10(13)14-11(16-12)17(2)3/h8-9H,4-7H2,1-3H3
InChIKeyBPDPQBJBTYRXRO-UHFFFAOYSA-N
XLogP2.55
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazin-2-amine (CID 62868910) is 4-chloro-N,N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazin-2-amine is CC1CCC(Oc2nc(Cl)nc(N(C)C)n2)CC1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazin-2-amine?
The InChIKey is BPDPQBJBTYRXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-8-4-6-9(7-5-8)18-12-15-10(13)14-11(16-12)17(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazin-2-amine has a molecular weight of 270.76 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).