N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide

C13H18N4O2 — CID 129034355

IUPACN-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide
SMILESCc1cc2nc(C)c(CNC(=O)C(C)C)c(=O)n2[nH]1
InChIInChI=1S/C13H18N4O2/c1-7(2)12(18)14-6-10-9(4)15-11-5-8(3)16-17(11)13(10)19/h5,7,16H,6H2,1-4H3,(H,14,18)
InChIKeyPJUYJGLWVSICNT-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.91
Rot. Bonds3

About N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide

N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide (PubChem CID 129034355) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide
PubChem CID129034355
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide
SMILESCc1cc2nc(C)c(CNC(=O)C(C)C)c(=O)n2[nH]1
InChIInChI=1S/C13H18N4O2/c1-7(2)12(18)14-6-10-9(4)15-11-5-8(3)16-17(11)13(10)19/h5,7,16H,6H2,1-4H3,(H,14,18)
InChIKeyPJUYJGLWVSICNT-UHFFFAOYSA-N
XLogP0.91
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide (CID 129034355) is N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide is Cc1cc2nc(C)c(CNC(=O)C(C)C)c(=O)n2[nH]1.
What is the InChIKey of N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide?
The InChIKey is PJUYJGLWVSICNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-7(2)12(18)14-6-10-9(4)15-11-5-8(3)16-17(11)13(10)19/h5,7,16H,6H2,1-4H3,(H,14,18).
What are the key properties of N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide?
N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide has a molecular weight of 262.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 129034355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).