2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenol

C19H16FN5O — CID 59823350

IUPAC2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenol
SMILESCc1cc2c(F)c(Nc3ccnc(Nc4ccccc4O)n3)ccc2[nH]1
InChIInChI=1S/C19H16FN5O/c1-11-10-12-13(22-11)6-7-15(18(12)20)23-17-8-9-21-19(25-17)24-14-4-2-3-5-16(14)26/h2-10,22,26H,1H3,(H2,21,23,24,25)
InChIKeyFSFOCRNPFRTCBV-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.60
Rot. Bonds4

About 2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenol

2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenol (PubChem CID 59823350) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenol
PubChem CID59823350
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenol
SMILESCc1cc2c(F)c(Nc3ccnc(Nc4ccccc4O)n3)ccc2[nH]1
InChIInChI=1S/C19H16FN5O/c1-11-10-12-13(22-11)6-7-15(18(12)20)23-17-8-9-21-19(25-17)24-14-4-2-3-5-16(14)26/h2-10,22,26H,1H3,(H2,21,23,24,25)
InChIKeyFSFOCRNPFRTCBV-UHFFFAOYSA-N
XLogP4.60
TPSA85.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenol?
The IUPAC name of 2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenol (CID 59823350) is 2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenol?
The canonical SMILES for 2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenol is Cc1cc2c(F)c(Nc3ccnc(Nc4ccccc4O)n3)ccc2[nH]1.
What is the InChIKey of 2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenol?
The InChIKey is FSFOCRNPFRTCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-11-10-12-13(22-11)6-7-15(18(12)20)23-17-8-9-21-19(25-17)24-14-4-2-3-5-16(14)26/h2-10,22,26H,1H3,(H2,21,23,24,25).
What are the key properties of 2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenol?
2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenol has a molecular weight of 349.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 59823350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).