2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide

C13H24N6O2 — CID 80794931

IUPAC2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCCNc1nc(NC(C)(C)C(N)=O)nc(OC(C)C)n1
InChIInChI=1S/C13H24N6O2/c1-6-7-15-10-16-11(19-13(4,5)9(14)20)18-12(17-10)21-8(2)3/h8H,6-7H2,1-5H3,(H2,14,20)(H2,15,16,17,18,19)
InChIKeyNDPKTAVYAULBSR-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.16
Rot. Bonds8

About 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide

2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide (PubChem CID 80794931) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
PubChem CID80794931
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCCNc1nc(NC(C)(C)C(N)=O)nc(OC(C)C)n1
InChIInChI=1S/C13H24N6O2/c1-6-7-15-10-16-11(19-13(4,5)9(14)20)18-12(17-10)21-8(2)3/h8H,6-7H2,1-5H3,(H2,14,20)(H2,15,16,17,18,19)
InChIKeyNDPKTAVYAULBSR-UHFFFAOYSA-N
XLogP1.16
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide with MolForge

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Related Compounds

methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80783468
2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 106178974
2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780133
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80753941
3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide
CID 80905968
2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea
CID 83117573
2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propanamide
CID 80819069
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 80818524
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198621
2-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80764899
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106280510
4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80842496

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The IUPAC name of 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide (CID 80794931) is 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide.
What is the SMILES notation for 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The canonical SMILES for 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide is CCCNc1nc(NC(C)(C)C(N)=O)nc(OC(C)C)n1.
What is the InChIKey of 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The InChIKey is NDPKTAVYAULBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-6-7-15-10-16-11(19-13(4,5)9(14)20)18-12(17-10)21-8(2)3/h8H,6-7H2,1-5H3,(H2,14,20)(H2,15,16,17,18,19).
What are the key properties of 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide?
2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide has a molecular weight of 296.38 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide is sourced from PubChem (CID 80794931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).