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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Related Compounds

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7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
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Methyl substituted pyrazole, 27
CID 23648674
N8-[(2S)-3,3-dimethylbutan-2-yl]-N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386882
N2-(2-Methoxy-4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl)-N8-Neopentylpyrido[3,4-D]pyrimidine-2,8-Diamine
CID 73387064
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2,4-Disubstituted Pyrimidine 2g
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CID 6538784
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CID 6538787
Pyrazolopyridazine 1
CID 6539361

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).