2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine

C12H21N5O — CID 80858525

IUPAC2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine
SMILESCC1CCC(Oc2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C12H21N5O/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,(H2,13,14,15,16)
InChIKeyHPQBVBGUHXPEKD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.48
Rot. Bonds3

About 2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine (PubChem CID 80858525) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine
PubChem CID80858525
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine
SMILESCC1CCC(Oc2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C12H21N5O/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,(H2,13,14,15,16)
InChIKeyHPQBVBGUHXPEKD-UHFFFAOYSA-N
XLogP1.48
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80871374
6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 114342953
6-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 793255
2-N,2-N-diethyl-6-(oxan-4-yloxy)-1,3,5-triazine-2,4-diamine
CID 80872901
6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80873893
2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine
CID 80861351
4-ethoxy-6-(3-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
CID 80861927
6-(4-methoxypiperidin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80783413
4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine
CID 62870341
2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80774808
2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 140510686
4-cyclobutyloxy-6-propoxy-1,3,5-triazin-2-amine
CID 80872035

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine (CID 80858525) is 2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine is CC1CCC(Oc2nc(N)nc(N(C)C)n2)CC1.
What is the InChIKey of 2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine?
The InChIKey is HPQBVBGUHXPEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/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,(H2,13,14,15,16).
What are the key properties of 2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine has a molecular weight of 251.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80858525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).