5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol

C16H14FN5O — CID 143794301

IUPAC5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol
SMILESNc1cccc(Nc2cc(Nc3ccc(F)c(O)c3)ncn2)c1
InChIInChI=1S/C16H14FN5O/c17-13-5-4-12(7-14(13)23)22-16-8-15(19-9-20-16)21-11-3-1-2-10(18)6-11/h1-9,23H,18H2,(H2,19,20,21,22)
InChIKeyHLNYVOZTZJSDKG-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.39
Rot. Bonds4

About 5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol

5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol (PubChem CID 143794301) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol.

Molecular Properties

Compound Name5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol
PubChem CID143794301
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol
SMILESNc1cccc(Nc2cc(Nc3ccc(F)c(O)c3)ncn2)c1
InChIInChI=1S/C16H14FN5O/c17-13-5-4-12(7-14(13)23)22-16-8-15(19-9-20-16)21-11-3-1-2-10(18)6-11/h1-9,23H,18H2,(H2,19,20,21,22)
InChIKeyHLNYVOZTZJSDKG-UHFFFAOYSA-N
XLogP3.39
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-methylphenol;1-ethyl-3-fluorobenzene
CID 143794224
N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80927394
1-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865974
3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine
CID 112675515
4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760392
N-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865842
3-N-(5-bromo-4-methyl-2-pyridinyl)benzene-1,3-diamine
CID 114869099
3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine
CID 43132793
1-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865840
4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80825736
4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112865260
4-N-(3-bromophenyl)pyrimidine-4,6-diamine
CID 80760494

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol?
The IUPAC name of 5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol (CID 143794301) is 5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol.
What is the SMILES notation for 5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol?
The canonical SMILES for 5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol is Nc1cccc(Nc2cc(Nc3ccc(F)c(O)c3)ncn2)c1.
What is the InChIKey of 5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol?
The InChIKey is HLNYVOZTZJSDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c17-13-5-4-12(7-14(13)23)22-16-8-15(19-9-20-16)21-11-3-1-2-10(18)6-11/h1-9,23H,18H2,(H2,19,20,21,22).
What are the key properties of 5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol?
5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol has a molecular weight of 311.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(3-aminoanilino)pyrimidin-4-yl]amino]-2-fluorophenol is sourced from PubChem (CID 143794301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).