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

C12H21N5O — CID 80830005

IUPAC4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CCCC2C)nc(OC)n1
InChIInChI=1S/C12H21N5O/c1-4-13-10-15-11(17-12(16-10)18-3)14-9-7-5-6-8(9)2/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyNBXVWXYAEFJWSQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.91
Rot. Bonds5

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

4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80830005) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
PubChem CID80830005
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CCCC2C)nc(OC)n1
InChIInChI=1S/C12H21N5O/c1-4-13-10-15-11(17-12(16-10)18-3)14-9-7-5-6-8(9)2/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyNBXVWXYAEFJWSQ-UHFFFAOYSA-N
XLogP1.91
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine
CID 80847841
4-N-ethyl-6-methoxy-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 82737154
4-hydrazinyl-6-methoxy-N-(2-methylcycloheptyl)-1,3,5-triazin-2-amine
CID 80925563
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
2-N-(2,3-dimethylcyclohexyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80778304
2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774290
4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80826231
2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80814685
N-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 114179316
2-N-(1,3-dimethylpiperidin-4-yl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 114506403
3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 106138427
1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842810

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine (CID 80830005) is 4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(NC2CCCC2C)nc(OC)n1.
What is the InChIKey of 4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NBXVWXYAEFJWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-13-10-15-11(17-12(16-10)18-3)14-9-7-5-6-8(9)2/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 251.33 g/mol, XLogP of 1.91, 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-methylcyclopentyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80830005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).