N-[2-oxo-2-[(2-pyrazol-1-ylpyrimidin-5-yl)amino]ethyl]butanamide

C13H16N6O2 — CID 73167993

IUPACN-[2-oxo-2-[(2-pyrazol-1-ylpyrimidin-5-yl)amino]ethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C13H16N6O2/c1-2-4-11(20)14-9-12(21)18-10-7-15-13(16-8-10)19-6-3-5-17-19/h3,5-8H,2,4,9H2,1H3,(H,14,20)(H,18,21)
InChIKeyDVTUGLCXMMVTCB-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.52
Rot. Bonds6

About N-[2-oxo-2-[(2-pyrazol-1-ylpyrimidin-5-yl)amino]ethyl]butanamide

N-[2-oxo-2-[(2-pyrazol-1-ylpyrimidin-5-yl)amino]ethyl]butanamide (PubChem CID 73167993) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[2-oxo-2-[(2-pyrazol-1-ylpyrimidin-5-yl)amino]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(2-pyrazol-1-ylpyrimidin-5-yl)amino]ethyl]butanamide
PubChem CID73167993
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC NameN-[2-oxo-2-[(2-pyrazol-1-ylpyrimidin-5-yl)amino]ethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C13H16N6O2/c1-2-4-11(20)14-9-12(21)18-10-7-15-13(16-8-10)19-6-3-5-17-19/h3,5-8H,2,4,9H2,1H3,(H,14,20)(H,18,21)
InChIKeyDVTUGLCXMMVTCB-UHFFFAOYSA-N
XLogP0.52
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(2-pyrazol-1-ylpyrimidin-5-yl)amino]ethyl]butanamide?
The IUPAC name of N-[2-oxo-2-[(2-pyrazol-1-ylpyrimidin-5-yl)amino]ethyl]butanamide (CID 73167993) is N-[2-oxo-2-[(2-pyrazol-1-ylpyrimidin-5-yl)amino]ethyl]butanamide.
What is the SMILES notation for N-[2-oxo-2-[(2-pyrazol-1-ylpyrimidin-5-yl)amino]ethyl]butanamide?
The canonical SMILES for N-[2-oxo-2-[(2-pyrazol-1-ylpyrimidin-5-yl)amino]ethyl]butanamide is CCCC(=O)NCC(=O)Nc1cnc(-n2cccn2)nc1.
What is the InChIKey of N-[2-oxo-2-[(2-pyrazol-1-ylpyrimidin-5-yl)amino]ethyl]butanamide?
The InChIKey is DVTUGLCXMMVTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-2-4-11(20)14-9-12(21)18-10-7-15-13(16-8-10)19-6-3-5-17-19/h3,5-8H,2,4,9H2,1H3,(H,14,20)(H,18,21).
What are the key properties of N-[2-oxo-2-[(2-pyrazol-1-ylpyrimidin-5-yl)amino]ethyl]butanamide?
N-[2-oxo-2-[(2-pyrazol-1-ylpyrimidin-5-yl)amino]ethyl]butanamide has a molecular weight of 288.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(2-pyrazol-1-ylpyrimidin-5-yl)amino]ethyl]butanamide is sourced from PubChem (CID 73167993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).