2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine

C12H21N5O — CID 80774290

IUPAC2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(c1nc(NCC)nc(OC)n1)C1CC1
InChIInChI=1S/C12H21N5O/c1-4-8-17(9-6-7-9)11-14-10(13-5-2)15-12(16-11)18-3/h9H,4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyJZNCMMLLCJRUTI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.69
Rot. Bonds7

About 2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine

2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80774290) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80774290
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(c1nc(NCC)nc(OC)n1)C1CC1
InChIInChI=1S/C12H21N5O/c1-4-8-17(9-6-7-9)11-14-10(13-5-2)15-12(16-11)18-3/h9H,4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyJZNCMMLLCJRUTI-UHFFFAOYSA-N
XLogP1.69
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-cyclopropyl-6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80774888
2-N-cyclopropyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80775722
2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 102875727
2-N-butyl-2-N-cyclopropyl-6-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80799249
2-[cyclopropyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80810577
4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776462
2-N,2-N-dibutyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80753763
4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 80830005
N-(azetidin-3-yl)-4,6-dimethoxy-N-propyl-1,3,5-triazin-2-amine
CID 66213927
4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine
CID 80847841
2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80814685
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 80771509

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 80774290) is 2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCN(c1nc(NCC)nc(OC)n1)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JZNCMMLLCJRUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-8-17(9-6-7-9)11-14-10(13-5-2)15-12(16-11)18-3/h9H,4-8H2,1-3H3,(H,13,14,15,16).
What are the key properties of 2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 251.33 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80774290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).