3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide

C12H22N6O2 — CID 80818524

IUPAC3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C12H22N6O2/c1-4-6-14-9(19)5-7-15-11-16-10(13)17-12(18-11)20-8(2)3/h8H,4-7H2,1-3H3,(H,14,19)(H3,13,15,16,17,18)
InChIKeyJAGHZBXYQNSCJA-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.57
Rot. Bonds8

About 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide

3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide (PubChem CID 80818524) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
PubChem CID80818524
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C12H22N6O2/c1-4-6-14-9(19)5-7-15-11-16-10(13)17-12(18-11)20-8(2)3/h8H,4-7H2,1-3H3,(H,14,19)(H3,13,15,16,17,18)
InChIKeyJAGHZBXYQNSCJA-UHFFFAOYSA-N
XLogP0.57
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide 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

3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
CID 113411167
methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80783468
2-N-[2-[ethyl(methyl)amino]ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80832721
2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80831552
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106280510
2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80777165
2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80847314
2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 106178974
2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80794931
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 62863465
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
CID 80819257

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide (CID 80818524) is 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc(N)nc(OC(C)C)n1.
What is the InChIKey of 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide?
The InChIKey is JAGHZBXYQNSCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-4-6-14-9(19)5-7-15-11-16-10(13)17-12(18-11)20-8(2)3/h8H,4-7H2,1-3H3,(H,14,19)(H3,13,15,16,17,18).
What are the key properties of 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide?
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide has a molecular weight of 282.35 g/mol, XLogP of 0.57, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 80818524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).