N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine

C17H26N4O — CID 56719244

IUPACN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine
SMILESCCN(Cc1cnn2c(C)cc(C)nc12)CC1CCOCC1
InChIInChI=1S/C17H26N4O/c1-4-20(11-15-5-7-22-8-6-15)12-16-10-18-21-14(3)9-13(2)19-17(16)21/h9-10,15H,4-8,11-12H2,1-3H3
InChIKeyABIVIBJOZLVETC-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.59
Rot. Bonds5

About N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine

N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 56719244) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine
PubChem CID56719244
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine
SMILESCCN(Cc1cnn2c(C)cc(C)nc12)CC1CCOCC1
InChIInChI=1S/C17H26N4O/c1-4-20(11-15-5-7-22-8-6-15)12-16-10-18-21-14(3)9-13(2)19-17(16)21/h9-10,15H,4-8,11-12H2,1-3H3
InChIKeyABIVIBJOZLVETC-UHFFFAOYSA-N
XLogP2.59
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine 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-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine (CID 56719244) is N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine is CCN(Cc1cnn2c(C)cc(C)nc12)CC1CCOCC1.
What is the InChIKey of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is ABIVIBJOZLVETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-20(11-15-5-7-22-8-6-15)12-16-10-18-21-14(3)9-13(2)19-17(16)21/h9-10,15H,4-8,11-12H2,1-3H3.
What are the key properties of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine?
N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 302.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 56719244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).