5-[(2-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

C19H17N5O — CID 118708219

IUPAC5-[(2-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccccc1Cc1nc(N)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C19H17N5O/c1-25-16-10-6-5-7-13(16)11-17-21-15-12-24(14-8-3-2-4-9-14)23-18(15)19(20)22-17/h2-10,12H,11H2,1H3,(H2,20,21,22)
InChIKeyOYGJIKRTCDDVRM-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.00
Rot. Bonds4

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

5-[(2-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 118708219) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID118708219
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name5-[(2-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccccc1Cc1nc(N)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C19H17N5O/c1-25-16-10-6-5-7-13(16)11-17-21-15-12-24(14-8-3-2-4-9-14)23-18(15)19(20)22-17/h2-10,12H,11H2,1H3,(H2,20,21,22)
InChIKeyOYGJIKRTCDDVRM-UHFFFAOYSA-N
XLogP3.00
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Unii-XX8E5WP7FS
CID 118009787
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2,4-Disubstituted Pyrimidine 2g
CID 5329420
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538789

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (CID 118708219) is 5-[(2-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is COc1ccccc1Cc1nc(N)c2nn(-c3ccccc3)cc2n1.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is OYGJIKRTCDDVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-25-16-10-6-5-7-13(16)11-17-21-15-12-24(14-8-3-2-4-9-14)23-18(15)19(20)22-17/h2-10,12H,11H2,1H3,(H2,20,21,22).
What are the key properties of 5-[(2-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
5-[(2-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 331.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 118708219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).