N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide

C14H20N6O — CID 30867957

IUPACN-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide
SMILESCCCC(=O)NCCNc1cc(-n2cccn2)nc(C)n1
InChIInChI=1S/C14H20N6O/c1-3-5-14(21)16-8-7-15-12-10-13(19-11(2)18-12)20-9-4-6-17-20/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,16,21)(H,15,18,19)
InChIKeyLQUAUIWXACTOGP-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.30
Rot. Bonds7

About N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide

N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide (PubChem CID 30867957) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide
PubChem CID30867957
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide
SMILESCCCC(=O)NCCNc1cc(-n2cccn2)nc(C)n1
InChIInChI=1S/C14H20N6O/c1-3-5-14(21)16-8-7-15-12-10-13(19-11(2)18-12)20-9-4-6-17-20/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,16,21)(H,15,18,19)
InChIKeyLQUAUIWXACTOGP-UHFFFAOYSA-N
XLogP1.30
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide?
The IUPAC name of N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide (CID 30867957) is N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide.
What is the SMILES notation for N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide?
The canonical SMILES for N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide is CCCC(=O)NCCNc1cc(-n2cccn2)nc(C)n1.
What is the InChIKey of N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide?
The InChIKey is LQUAUIWXACTOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-5-14(21)16-8-7-15-12-10-13(19-11(2)18-12)20-9-4-6-17-20/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,16,21)(H,15,18,19).
What are the key properties of N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide?
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide has a molecular weight of 288.36 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide is sourced from PubChem (CID 30867957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).