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

C14H25N5O — CID 80841793

IUPAC2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H25N5O/c1-5-20-14-18-12(15-4)17-13(19-14)16-11-7-9(2)6-10(3)8-11/h9-11H,5-8H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyNUSHPBNUWXEFDY-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.55
Rot. Bonds5

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

2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80841793) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80841793
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C14H25N5O/c1-5-20-14-18-12(15-4)17-13(19-14)16-11-7-9(2)6-10(3)8-11/h9-11H,5-8H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyNUSHPBNUWXEFDY-UHFFFAOYSA-N
XLogP2.55
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-chloro-N-(3,5-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 64732550
6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 114541934
6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771171
4-chloro-6-ethoxy-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 55124366
2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771583
4-(3,5-dimethylcyclohexyl)oxy-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80871614
4-(cyclopropylmethoxy)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80867578
2-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80822946
2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80846117
6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107421220
4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine
CID 114101541
6-ethoxy-4-N-methyl-2-N-[(2-methylcyclohexyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80815043

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80841793) is 2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(NC2CC(C)CC(C)C2)n1.
What is the InChIKey of 2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NUSHPBNUWXEFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-20-14-18-12(15-4)17-13(19-14)16-11-7-9(2)6-10(3)8-11/h9-11H,5-8H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80841793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).