2-[(2-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C16H14N6O2 — CID 146268696

IUPAC2-[(2-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccccc1Cn1cc2c(N)nc(-c3ncco3)nc2n1
InChIInChI=1S/C16H14N6O2/c1-23-12-5-3-2-4-10(12)8-22-9-11-13(17)19-15(20-14(11)21-22)16-18-6-7-24-16/h2-7,9H,8H2,1H3,(H2,17,19,20,21)
InChIKeyRGLFYWDVJKBJBV-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.12
Rot. Bonds4

About 2-[(2-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

2-[(2-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 146268696) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID146268696
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name2-[(2-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccccc1Cn1cc2c(N)nc(-c3ncco3)nc2n1
InChIInChI=1S/C16H14N6O2/c1-23-12-5-3-2-4-10(12)8-22-9-11-13(17)19-15(20-14(11)21-22)16-18-6-7-24-16/h2-7,9H,8H2,1H3,(H2,17,19,20,21)
InChIKeyRGLFYWDVJKBJBV-UHFFFAOYSA-N
XLogP2.12
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-methyl-2-((o-tolyloxy)methyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 889442
4-(2-Ethoxyphenyl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 11133107
[7-(2-Fluorophenyl)-7H-pyrazolo[4,3-E][1,2,4]triazolo[1,5-C]pyrimidin-2-YL]methyl (2-methylphenyl) ether
CID 16012919
5-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-N-methyl-8-N-(1,3-oxazol-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine
CID 164623604
1-(6-Fluoro-2-methyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-13-yl)ethanone
CID 166627641
1-[(11S)-6-fluoro-2,11-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-13-yl]ethanone
CID 166633052
2-[1-[(2-Fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methyl-1,3-oxazole
CID 23381202
1-[(6R)-9-fluoro-13-oxa-2,16,20,21,24-pentazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-16-yl]ethanone
CID 54670257
1-[(6R)-9-fluoro-13-oxa-2,16,20,21,24-pentaazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18(25),19,22-heptaen-16-yl]-2-hydroxyethan-1-one
CID 54670532
(6R)-N-ethyl-9-fluoro-13-oxa-2,16,20,21,24-pentaazapentacyclo-[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7,9,11,18(25),19,22-heptaene-16-carboxamide
CID 86691739
US10246466, Example 49
CID 118256522
US11472811, Example 6
CID 166178117

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 146268696) is 2-[(2-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccccc1Cn1cc2c(N)nc(-c3ncco3)nc2n1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RGLFYWDVJKBJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-23-12-5-3-2-4-10(12)8-22-9-11-13(17)19-15(20-14(11)21-22)16-18-6-7-24-16/h2-7,9H,8H2,1H3,(H2,17,19,20,21).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
2-[(2-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 322.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146268696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).