N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

C21H26N4O — CID 56711698

IUPACN-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
SMILESCCN(Cc1cnc2c(-c3ccccc3)cnn2c1)CC1CCOCC1
InChIInChI=1S/C21H26N4O/c1-2-24(14-17-8-10-26-11-9-17)15-18-12-22-21-20(13-23-25(21)16-18)19-6-4-3-5-7-19/h3-7,12-13,16-17H,2,8-11,14-15H2,1H3
InChIKeyBWOVGVONXRHAMX-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.64
Rot. Bonds6

About N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine (PubChem CID 56711698) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
PubChem CID56711698
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
SMILESCCN(Cc1cnc2c(-c3ccccc3)cnn2c1)CC1CCOCC1
InChIInChI=1S/C21H26N4O/c1-2-24(14-17-8-10-26-11-9-17)15-18-12-22-21-20(13-23-25(21)16-18)19-6-4-3-5-7-19/h3-7,12-13,16-17H,2,8-11,14-15H2,1H3
InChIKeyBWOVGVONXRHAMX-UHFFFAOYSA-N
XLogP3.64
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The IUPAC name of N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine (CID 56711698) is N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The canonical SMILES for N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine is CCN(Cc1cnc2c(-c3ccccc3)cnn2c1)CC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The InChIKey is BWOVGVONXRHAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-2-24(14-17-8-10-26-11-9-17)15-18-12-22-21-20(13-23-25(21)16-18)19-6-4-3-5-7-19/h3-7,12-13,16-17H,2,8-11,14-15H2,1H3.
What are the key properties of N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine has a molecular weight of 350.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine is sourced from PubChem (CID 56711698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).