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

C15H27N5O — CID 80771171

IUPAC6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC2CCCC(C)C2)nc(OCC)n1
InChIInChI=1S/C15H27N5O/c1-4-9-16-13-18-14(20-15(19-13)21-5-2)17-12-8-6-7-11(3)10-12/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyIBQLVWINJZFGJL-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.08
Rot. Bonds7

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

6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80771171) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80771171
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC2CCCC(C)C2)nc(OCC)n1
InChIInChI=1S/C15H27N5O/c1-4-9-16-13-18-14(20-15(19-13)21-5-2)17-12-8-6-7-11(3)10-12/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyIBQLVWINJZFGJL-UHFFFAOYSA-N
XLogP3.08
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 114541934
2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766247
4-chloro-6-ethoxy-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 55124366
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
4-chloro-6-ethoxy-N-(4-methylcycloheptyl)-1,3,5-triazin-2-amine
CID 114101541
5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
CID 80816786
2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80820353
2-N-(3,5-dimethylcyclohexyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80841793
6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80827269
2-[[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80831703
3-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
CID 80797059

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80771171) is 6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NC2CCCC(C)C2)nc(OCC)n1.
What is the InChIKey of 6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IBQLVWINJZFGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-9-16-13-18-14(20-15(19-13)21-5-2)17-12-8-6-7-11(3)10-12/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 293.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80771171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).