4-methoxy-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine

C13H22N4O2 — CID 80861301

IUPAC4-methoxy-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(OC2CC(C)CC(C)(C)C2)n1
InChIInChI=1S/C13H22N4O2/c1-8-5-9(7-13(2,3)6-8)19-12-16-10(14)15-11(17-12)18-4/h8-9H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyPCIXOLGAVBAITB-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.06
Rot. Bonds3

About 4-methoxy-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine

4-methoxy-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine (PubChem CID 80861301) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-methoxy-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine
PubChem CID80861301
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-methoxy-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(OC2CC(C)CC(C)(C)C2)n1
InChIInChI=1S/C13H22N4O2/c1-8-5-9(7-13(2,3)6-8)19-12-16-10(14)15-11(17-12)18-4/h8-9H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyPCIXOLGAVBAITB-UHFFFAOYSA-N
XLogP2.06
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine
CID 80861304
4,5-dimethoxy-2-(3,3,5-trimethylcyclohexyl)oxyaniline
CID 83005080
2-ethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
CID 80941322
CID 59482380
CID 59482380
1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine
CID 66011775
6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 114342953
2-propoxy-6-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine
CID 43262452
[4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol
CID 83184561
4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid
CID 83181126
4-(3,5-dimethylcyclohexyl)oxy-6-propoxy-1,3,5-triazin-2-amine
CID 80877748
6-(3,3,5-trimethylcyclohexyl)oxypyridine-2-carbothioamide
CID 64595508
5-bromo-4-(3,3,5-trimethylcyclohexyl)oxypyridin-3-amine
CID 103518728

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine (CID 80861301) is 4-methoxy-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine is COc1nc(N)nc(OC2CC(C)CC(C)(C)C2)n1.
What is the InChIKey of 4-methoxy-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine?
The InChIKey is PCIXOLGAVBAITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8-5-9(7-13(2,3)6-8)19-12-16-10(14)15-11(17-12)18-4/h8-9H,5-7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-methoxy-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine?
4-methoxy-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine has a molecular weight of 266.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).