2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C19H22N4O — CID 70772268

IUPAC2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(-c3ccccc3)cc(NCC3CCCOC3)n2n1
InChIInChI=1S/C19H22N4O/c1-14-10-19-21-17(16-7-3-2-4-8-16)11-18(23(19)22-14)20-12-15-6-5-9-24-13-15/h2-4,7-8,10-11,15,20H,5-6,9,12-13H2,1H3
InChIKeyVIIFDDVFLGNPBD-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.54
Rot. Bonds4

About 2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70772268) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70772268
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(-c3ccccc3)cc(NCC3CCCOC3)n2n1
InChIInChI=1S/C19H22N4O/c1-14-10-19-21-17(16-7-3-2-4-8-16)11-18(23(19)22-14)20-12-15-6-5-9-24-13-15/h2-4,7-8,10-11,15,20H,5-6,9,12-13H2,1H3
InChIKeyVIIFDDVFLGNPBD-UHFFFAOYSA-N
XLogP3.54
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70772268) is 2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc(-c3ccccc3)cc(NCC3CCCOC3)n2n1.
What is the InChIKey of 2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VIIFDDVFLGNPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-10-19-21-17(16-7-3-2-4-8-16)11-18(23(19)22-14)20-12-15-6-5-9-24-13-15/h2-4,7-8,10-11,15,20H,5-6,9,12-13H2,1H3.
What are the key properties of 2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 322.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70772268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).