2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine

C13H23N5O — CID 80837854

IUPAC2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C13H23N5O/c1-4-19-12-17-10(14)16-11(18-12)15-9-5-7-13(2,3)8-6-9/h9H,4-8H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyIOCQWYUYGWMPGR-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.23
Rot. Bonds4

About 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine

2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80837854) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID80837854
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C13H23N5O/c1-4-19-12-17-10(14)16-11(18-12)15-9-5-7-13(2,3)8-6-9/h9H,4-8H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyIOCQWYUYGWMPGR-UHFFFAOYSA-N
XLogP2.23
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80823322
2-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80822946
2-N-(2,3-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80777218
[2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]cyclopentyl]methanol
CID 106368115
2-N-(3-methylcyclopentyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114542042
2-N-cyclopropyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80765120
4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138618
4-(4,4-dimethylazepan-1-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 80842750
2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80803159
2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766247
2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 83117873
6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine
CID 80797018

Frequently Asked Questions

What is the IUPAC name of 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine (CID 80837854) is 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NC2CCC(C)(C)CC2)n1.
What is the InChIKey of 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is IOCQWYUYGWMPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-19-12-17-10(14)16-11(18-12)15-9-5-7-13(2,3)8-6-9/h9H,4-8H2,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 265.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80837854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).