1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C19H18N6O — CID 86808230

IUPAC1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCc3cccc(OCc4ccccn4)c3)ncnc21
InChIInChI=1S/C19H18N6O/c1-25-19-17(11-24-25)18(22-13-23-19)21-10-14-5-4-7-16(9-14)26-12-15-6-2-3-8-20-15/h2-9,11,13H,10,12H2,1H3,(H,21,22,23)
InChIKeyKJUCQWCCMRDQSD-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.95
Rot. Bonds6

About 1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 86808230) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID86808230
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCc3cccc(OCc4ccccn4)c3)ncnc21
InChIInChI=1S/C19H18N6O/c1-25-19-17(11-24-25)18(22-13-23-19)21-10-14-5-4-7-16(9-14)26-12-15-6-2-3-8-20-15/h2-9,11,13H,10,12H2,1H3,(H,21,22,23)
InChIKeyKJUCQWCCMRDQSD-UHFFFAOYSA-N
XLogP2.95
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 17453140
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide
CID 47064950
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55712318
1-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 171705345
1-methyl-N-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 60876176
10-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 55828562
N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7424163
1,2-dimethyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 110893221
[3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 79868827
1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 26003922

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 86808230) is 1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCc3cccc(OCc4ccccn4)c3)ncnc21.
What is the InChIKey of 1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KJUCQWCCMRDQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-25-19-17(11-24-25)18(22-13-23-19)21-10-14-5-4-7-16(9-14)26-12-15-6-2-3-8-20-15/h2-9,11,13H,10,12H2,1H3,(H,21,22,23).
What are the key properties of 1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 346.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 86808230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).