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

C12H22N6O2 — CID 106918727

IUPAC3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C12H22N6O2/c1-7(2)20-12-16-10(13)15-11(17-12)18(5)6-8(3)9(19)14-4/h7-8H,6H2,1-5H3,(H,14,19)(H2,13,15,16,17)
InChIKeyVBZVYJIGJMMAGP-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.06
Rot. Bonds6

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

3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 106918727) 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)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID106918727
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C12H22N6O2/c1-7(2)20-12-16-10(13)15-11(17-12)18(5)6-8(3)9(19)14-4/h7-8H,6H2,1-5H3,(H,14,19)(H2,13,15,16,17)
InChIKeyVBZVYJIGJMMAGP-UHFFFAOYSA-N
XLogP0.06
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide with MolForge

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Related Compounds

3-[(4-Chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide
CID 55125365
3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 55125466
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 62857077
3-[(4-Chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide
CID 62857393
N-butan-2-yl-3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanamide
CID 62858232
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62858233
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 62858236
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 62859317
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-diethylpropanamide
CID 62859319
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62859335
3-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]propanamide
CID 62860707
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62861603

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide (CID 106918727) is 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1nc(N)nc(OC(C)C)n1.
What is the InChIKey of 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is VBZVYJIGJMMAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-7(2)20-12-16-10(13)15-11(17-12)18(5)6-8(3)9(19)14-4/h7-8H,6H2,1-5H3,(H,14,19)(H2,13,15,16,17).
What are the key properties of 3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide?
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 282.35 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 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)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106918727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).