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

C12H21N5O — CID 163476646

IUPACN-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide
SMILESCCCC(=O)NCCCNc1nc(C)nc(C)n1
InChIInChI=1S/C12H21N5O/c1-4-6-11(18)13-7-5-8-14-12-16-9(2)15-10(3)17-12/h4-8H2,1-3H3,(H,13,18)(H,14,15,16,17)
InChIKeyCAZQPGHYZVULSU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.21
Rot. Bonds7

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

N-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide (PubChem CID 163476646) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide.

Molecular Properties

Compound NameN-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide
PubChem CID163476646
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide
SMILESCCCC(=O)NCCCNc1nc(C)nc(C)n1
InChIInChI=1S/C12H21N5O/c1-4-6-11(18)13-7-5-8-14-12-16-9(2)15-10(3)17-12/h4-8H2,1-3H3,(H,13,18)(H,14,15,16,17)
InChIKeyCAZQPGHYZVULSU-UHFFFAOYSA-N
XLogP1.21
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.21
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide?
The IUPAC name of N-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide (CID 163476646) is N-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide.
What is the SMILES notation for N-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide?
The canonical SMILES for N-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide is CCCC(=O)NCCCNc1nc(C)nc(C)n1.
What is the InChIKey of N-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide?
The InChIKey is CAZQPGHYZVULSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-6-11(18)13-7-5-8-14-12-16-9(2)15-10(3)17-12/h4-8H2,1-3H3,(H,13,18)(H,14,15,16,17).
What are the key properties of N-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide?
N-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide has a molecular weight of 251.33 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]propyl]butanamide is sourced from PubChem (CID 163476646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).