2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol

C20H16F2N4O — CID 137019000

IUPAC2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCCc1ccc(Nc2nc(-c3c(F)cccc3F)nc3c[nH]c(O)c23)cc1
InChIInChI=1S/C20H16F2N4O/c1-2-11-6-8-12(9-7-11)24-19-17-15(10-23-20(17)27)25-18(26-19)16-13(21)4-3-5-14(16)22/h3-10,23,27H,2H2,1H3,(H,24,25,26)
InChIKeyBIQBGOFJISMWOJ-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.91
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol

2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol (PubChem CID 137019000) has the molecular formula C20H16F2N4O and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol
PubChem CID137019000
Molecular FormulaC20H16F2N4O
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC Name2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCCc1ccc(Nc2nc(-c3c(F)cccc3F)nc3c[nH]c(O)c23)cc1
InChIInChI=1S/C20H16F2N4O/c1-2-11-6-8-12(9-7-11)24-19-17-15(10-23-20(17)27)25-18(26-19)16-13(21)4-3-5-14(16)22/h3-10,23,27H,2H2,1H3,(H,24,25,26)
InChIKeyBIQBGOFJISMWOJ-UHFFFAOYSA-N
XLogP4.91
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[2-[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]phenyl]acetyl]-methylamino]piperidine-1-carboxylate
CID 137159441
2-[4-[[2-(2-chlorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]phenyl]-N-methylacetamide
CID 137152129
4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137083284
[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 137156252
6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877576
2-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]amino]phenyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 118347875
5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 155560200
ethyl 2-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]amino]phenyl]-2-hydroxypropanoate
CID 122520377
2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965406
4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80761999
N-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 53004447
N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315717

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol (CID 137019000) is 2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol is CCc1ccc(Nc2nc(-c3c(F)cccc3F)nc3c[nH]c(O)c23)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol?
The InChIKey is BIQBGOFJISMWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O/c1-2-11-6-8-12(9-7-11)24-19-17-15(10-23-20(17)27)25-18(26-19)16-13(21)4-3-5-14(16)22/h3-10,23,27H,2H2,1H3,(H,24,25,26).
What are the key properties of 2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol?
2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol has a molecular weight of 366.37 g/mol, XLogP of 4.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 137019000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).