3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol

C16H14FN5O — CID 22060886

IUPAC3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol
SMILESOc1cccc(Nc2nc(NCc3cccnc3)ncc2F)c1
InChIInChI=1S/C16H14FN5O/c17-14-10-20-16(19-9-11-3-2-6-18-8-11)22-15(14)21-12-4-1-5-13(23)7-12/h1-8,10,23H,9H2,(H2,19,20,21,22)
InChIKeyWYFAOVWTYIWENC-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.07
Rot. Bonds5

About 3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol

3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol (PubChem CID 22060886) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol
PubChem CID22060886
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol
SMILESOc1cccc(Nc2nc(NCc3cccnc3)ncc2F)c1
InChIInChI=1S/C16H14FN5O/c17-14-10-20-16(19-9-11-3-2-6-18-8-11)22-15(14)21-12-4-1-5-13(23)7-12/h1-8,10,23H,9H2,(H2,19,20,21,22)
InChIKeyWYFAOVWTYIWENC-UHFFFAOYSA-N
XLogP3.07
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol with MolForge

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Related Compounds

2-N-ethyl-5-fluoro-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80771845
3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-methylbenzamide
CID 22060808
tert-butyl N-[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]carbamate
CID 155926735
3-[[5-fluoro-2-[[2-(hydroxymethyl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]phenol
CID 22060324
3-[[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-fluoropyrimidin-4-yl]amino]phenol
CID 22060632
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
[4-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenoxy]methyl N-methylcarbamate
CID 174489135
3-[[2-(2H-1,4-benzoxazin-7-ylamino)-5-fluoropyrimidin-4-yl]amino]phenol
CID 66759945
N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927980
ethyl 2-[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]iminoacetate
CID 22061087
[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 22060666
5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine
CID 66759549

Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol?
The IUPAC name of 3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol (CID 22060886) is 3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol?
The canonical SMILES for 3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol is Oc1cccc(Nc2nc(NCc3cccnc3)ncc2F)c1.
What is the InChIKey of 3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol?
The InChIKey is WYFAOVWTYIWENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c17-14-10-20-16(19-9-11-3-2-6-18-8-11)22-15(14)21-12-4-1-5-13(23)7-12/h1-8,10,23H,9H2,(H2,19,20,21,22).
What are the key properties of 3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol?
3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol has a molecular weight of 311.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 22060886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).