[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine

C14H14N4O — CID 82272012

IUPAC[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine
SMILESCOc1ccccc1-c1nn2cccnc2c1CN
InChIInChI=1S/C14H14N4O/c1-19-12-6-3-2-5-10(12)13-11(9-15)14-16-7-4-8-18(14)17-13/h2-8H,9,15H2,1H3
InChIKeyLSPHQTHHDVVPBB-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.86
Rot. Bonds3

About [2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine

[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine (PubChem CID 82272012) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine
PubChem CID82272012
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine
SMILESCOc1ccccc1-c1nn2cccnc2c1CN
InChIInChI=1S/C14H14N4O/c1-19-12-6-3-2-5-10(12)13-11(9-15)14-16-7-4-8-18(14)17-13/h2-8H,9,15H2,1H3
InChIKeyLSPHQTHHDVVPBB-UHFFFAOYSA-N
XLogP1.86
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine?
The IUPAC name of [2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine (CID 82272012) is [2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine.
What is the SMILES notation for [2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine?
The canonical SMILES for [2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine is COc1ccccc1-c1nn2cccnc2c1CN.
What is the InChIKey of [2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine?
The InChIKey is LSPHQTHHDVVPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-19-12-6-3-2-5-10(12)13-11(9-15)14-16-7-4-8-18(14)17-13/h2-8H,9,15H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine?
[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine has a molecular weight of 254.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine is sourced from PubChem (CID 82272012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).