4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C14H14BrN5O — CID 82807611

IUPAC4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCNc1nc(OCc2ccccc2Br)c2cn[nH]c2n1
InChIInChI=1S/C14H14BrN5O/c1-2-16-14-18-12-10(7-17-20-12)13(19-14)21-8-9-5-3-4-6-11(9)15/h3-7H,2,8H2,1H3,(H2,16,17,18,19,20)
InChIKeyQGFOYNGHVQUGGQ-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.13
Rot. Bonds5

About 4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 82807611) has the molecular formula C14H14BrN5O and a molecular weight of 348.20 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID82807611
Molecular FormulaC14H14BrN5O
Molecular Weight348.20 g/mol
Exact Mass347.04
IUPAC Name4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCNc1nc(OCc2ccccc2Br)c2cn[nH]c2n1
InChIInChI=1S/C14H14BrN5O/c1-2-16-14-18-12-10(7-17-20-12)13(19-14)21-8-9-5-3-4-6-11(9)15/h3-7H,2,8H2,1H3,(H2,16,17,18,19,20)
InChIKeyQGFOYNGHVQUGGQ-UHFFFAOYSA-N
XLogP3.13
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 114158228
4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103333313
4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 82826084
6-[(2-bromophenyl)methoxy]-N,5-diethylpyrimidin-4-amine
CID 82825929
6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
CID 82808450
N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831389
N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine
CID 103331360
4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine
CID 80859211
5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine
CID 103745919
N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
CID 82832374
4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 82808235
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 104830500

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 82807611) is 4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine is CCNc1nc(OCc2ccccc2Br)c2cn[nH]c2n1.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is QGFOYNGHVQUGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O/c1-2-16-14-18-12-10(7-17-20-12)13(19-14)21-8-9-5-3-4-6-11(9)15/h3-7H,2,8H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 348.20 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 82807611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).