2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine

C21H21N5O — CID 127047737

IUPAC2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccccc1-n1cc2nc(CCCc3ccccc3)nc(N)c2n1
InChIInChI=1S/C21H21N5O/c1-27-18-12-6-5-11-17(18)26-14-16-20(25-26)21(22)24-19(23-16)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H2,22,23,24)
InChIKeyJKHCHBLVGYHBMJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.58
Rot. Bonds6

About 2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine

2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 127047737) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID127047737
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccccc1-n1cc2nc(CCCc3ccccc3)nc(N)c2n1
InChIInChI=1S/C21H21N5O/c1-27-18-12-6-5-11-17(18)26-14-16-20(25-26)21(22)24-19(23-16)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H2,22,23,24)
InChIKeyJKHCHBLVGYHBMJ-UHFFFAOYSA-N
XLogP3.58
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine (CID 127047737) is 2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine is COc1ccccc1-n1cc2nc(CCCc3ccccc3)nc(N)c2n1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is JKHCHBLVGYHBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-27-18-12-6-5-11-17(18)26-14-16-20(25-26)21(22)24-19(23-16)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H2,22,23,24).
What are the key properties of 2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine?
2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 359.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 127047737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).