4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C12H11N5O — CID 76847022

IUPAC4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESNc1nc(OCc2ccccc2)c2cn[nH]c2n1
InChIInChI=1S/C12H11N5O/c13-12-15-10-9(6-14-17-10)11(16-12)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16,17)
InChIKeyQWJXZUNEGWZSTQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.51
Rot. Bonds3

About 4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 76847022) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID76847022
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESNc1nc(OCc2ccccc2)c2cn[nH]c2n1
InChIInChI=1S/C12H11N5O/c13-12-15-10-9(6-14-17-10)11(16-12)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16,17)
InChIKeyQWJXZUNEGWZSTQ-UHFFFAOYSA-N
XLogP1.51
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 102741163
4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 76847078
6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine
CID 24961708
5,7-difluoro-6-phenylmethoxy-1H-indazole
CID 163233496
4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 157231027
4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 82807611
4-N-[(3-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39782188
4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 106598643
2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide
CID 16792148
4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 104663115
(4-phenylmethoxyquinazolin-2-yl)hydrazine
CID 80909889
5-phenylmethoxypyrimidin-2-amine
CID 20748397

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 76847022) is 4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine is Nc1nc(OCc2ccccc2)c2cn[nH]c2n1.
What is the InChIKey of 4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is QWJXZUNEGWZSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-12-15-10-9(6-14-17-10)11(16-12)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16,17).
What are the key properties of 4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 241.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 76847022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).