3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C12H10BrN5O — CID 130434589

IUPAC3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(Oc2cccc(Br)c2)c2c(N)ncnc21
InChIInChI=1S/C12H10BrN5O/c1-18-11-9(10(14)15-6-16-11)12(17-18)19-8-4-2-3-7(13)5-8/h2-6H,1H3,(H2,14,15,16)
InChIKeyKNZCCABSZWKVNS-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.50
Rot. Bonds2

About 3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 130434589) has the molecular formula C12H10BrN5O and a molecular weight of 320.15 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID130434589
Molecular FormulaC12H10BrN5O
Molecular Weight320.15 g/mol
Exact Mass319.01
IUPAC Name3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(Oc2cccc(Br)c2)c2c(N)ncnc21
InChIInChI=1S/C12H10BrN5O/c1-18-11-9(10(14)15-6-16-11)12(17-18)19-8-4-2-3-7(13)5-8/h2-6H,1H3,(H2,14,15,16)
InChIKeyKNZCCABSZWKVNS-UHFFFAOYSA-N
XLogP2.50
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-bromophenoxy)-1-methylpyrazol-4-amine
CID 103079054
5-bromo-2-(3-bromophenoxy)pyridin-3-amine
CID 61228290
2-(3-bromophenoxy)pyridin-3-amine
CID 16782330
6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline
CID 133406614
1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine
CID 114057557
3-(3-chlorophenoxy)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 59633771
1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 131107177
[6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine
CID 80915780
1-(azetidin-3-yl)-3-phenoxypyrazolo[3,4-d]pyrimidin-4-amine
CID 59633757
5-[(3-bromophenoxy)methyl]-1-methylpyrazol-4-amine
CID 117217778
2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile
CID 72695342
3-(3-bromophenoxy)pyrazine-2-carboxamide
CID 62684983

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 130434589) is 3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1nc(Oc2cccc(Br)c2)c2c(N)ncnc21.
What is the InChIKey of 3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KNZCCABSZWKVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5O/c1-18-11-9(10(14)15-6-16-11)12(17-18)19-8-4-2-3-7(13)5-8/h2-6H,1H3,(H2,14,15,16).
What are the key properties of 3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 320.15 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 130434589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).