N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide

C12H21N5O — CID 163515594

IUPACN-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCCNc1nc(C)nc(C)n1
InChIInChI=1S/C12H21N5O/c1-5-8(2)11(18)13-6-7-14-12-16-9(3)15-10(4)17-12/h8H,5-7H2,1-4H3,(H,13,18)(H,14,15,16,17)
InChIKeyDGLHNZMJRDVMAD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.06
Rot. Bonds6

About N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide

N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide (PubChem CID 163515594) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide
PubChem CID163515594
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCCNc1nc(C)nc(C)n1
InChIInChI=1S/C12H21N5O/c1-5-8(2)11(18)13-6-7-14-12-16-9(3)15-10(4)17-12/h8H,5-7H2,1-4H3,(H,13,18)(H,14,15,16,17)
InChIKeyDGLHNZMJRDVMAD-UHFFFAOYSA-N
XLogP1.06
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide
CID 34682450
N-((4-(dimethylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 121137996
N-((4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122254089
2-Amino-N-(1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl)-4-methylpentanamide
CID 597304
2,4,6-Tri(butylcarbamoyl)-1,3,5-triazine
CID 12040478
2-N,4-N,6-N-tripropyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 121298982
2,2-dimethyl-N-(1,3,5-triazin-2-ylmethyl)propanamide
CID 134581635
N,4,6-tributyl-1,3,5-triazine-2-carboxamide
CID 140440054
N-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide
CID 163476646
3-cyclopropyl-N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-iodopropanamide
CID 163853874
N-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl}acetamide
CID 14641667
3-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 16355111

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide?
The IUPAC name of N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide (CID 163515594) is N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide.
What is the SMILES notation for N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide?
The canonical SMILES for N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide is CCC(C)C(=O)NCCNc1nc(C)nc(C)n1.
What is the InChIKey of N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide?
The InChIKey is DGLHNZMJRDVMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-5-8(2)11(18)13-6-7-14-12-16-9(3)15-10(4)17-12/h8H,5-7H2,1-4H3,(H,13,18)(H,14,15,16,17).
What are the key properties of N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide?
N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-2-methylbutanamide is sourced from PubChem (CID 163515594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).