4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine

C14H25N5O — CID 80847841

IUPAC4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CCCCCC2C)nc(OC)n1
InChIInChI=1S/C14H25N5O/c1-4-15-12-17-13(19-14(18-12)20-3)16-11-9-7-5-6-8-10(11)2/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyOOMJLUBBUXUCRR-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.69
Rot. Bonds5

About 4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80847841) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine
PubChem CID80847841
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CCCCCC2C)nc(OC)n1
InChIInChI=1S/C14H25N5O/c1-4-15-12-17-13(19-14(18-12)20-3)16-11-9-7-5-6-8-10(11)2/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyOOMJLUBBUXUCRR-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 80830005
4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine
CID 80925563
4-N-ethyl-6-methoxy-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 82737154
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
4-hydrazinyl-N-(2-methylcycloheptyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80925892
2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774290
2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80778304
4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80826231
1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
CID 80829131
4-hydrazinyl-N-(2-methylcycloheptyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80925544
2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80814685
2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine
CID 62861608

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine (CID 80847841) is 4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(NC2CCCCCC2C)nc(OC)n1.
What is the InChIKey of 4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OOMJLUBBUXUCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-15-12-17-13(19-14(18-12)20-3)16-11-9-7-5-6-8-10(11)2/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80847841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).