3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol

C17H16FN5O3 — CID 22060227

IUPAC3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol
SMILESCOc1ccc(Nc2nc(Nc3cccc(O)c3)ncc2F)c(OC)n1
InChIInChI=1S/C17H16FN5O3/c1-25-14-7-6-13(16(22-14)26-2)21-15-12(18)9-19-17(23-15)20-10-4-3-5-11(24)8-10/h3-9,24H,1-2H3,(H2,19,20,21,23)
InChIKeyZXBSSHVXYREHBP-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.22
Rot. Bonds6

About 3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol

3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol (PubChem CID 22060227) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is 3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol
PubChem CID22060227
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Name3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol
SMILESCOc1ccc(Nc2nc(Nc3cccc(O)c3)ncc2F)c(OC)n1
InChIInChI=1S/C17H16FN5O3/c1-25-14-7-6-13(16(22-14)26-2)21-15-12(18)9-19-17(23-15)20-10-4-3-5-11(24)8-10/h3-9,24H,1-2H3,(H2,19,20,21,23)
InChIKeyZXBSSHVXYREHBP-UHFFFAOYSA-N
XLogP3.22
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

R-112
CID 9904854
N-(2-(2-(2-Methoxy-4-morpholinophenylamino)-5-fluoropyrimidin-4-ylamino)phenyl)methanesulfonamide
CID 44252884
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
Pyrazine-Pyridine Biheteroaryl 15
CID 5330360
3-(5-(3-(Dimethylamino)phenoxy)pyrimidin-2-ylamino)phenol
CID 46835756
Bisanilinopyrimidine, 6f
CID 70702137
4-N-(2-dimethylphosphorylphenyl)-5-fluoro-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
CID 68165338
2,4-Bisanilinopyrimidine, 29
CID 44224084
2,4-Bisanilinopyrimidine, 30
CID 44224085
2,4-Bisanilinopyrimidine, 31
CID 44224086
N2-(pyridin-4-yl)-N6-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine
CID 24879390
5-fluoro-N-(4-methoxyphenyl)-4-(4-morpholinyl)-2-pyrimidinamine
CID 2210271

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol?
The IUPAC name of 3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol (CID 22060227) is 3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol is COc1ccc(Nc2nc(Nc3cccc(O)c3)ncc2F)c(OC)n1.
What is the InChIKey of 3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol?
The InChIKey is ZXBSSHVXYREHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c1-25-14-7-6-13(16(22-14)26-2)21-15-12(18)9-19-17(23-15)20-10-4-3-5-11(24)8-10/h3-9,24H,1-2H3,(H2,19,20,21,23).
What are the key properties of 3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol?
3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol has a molecular weight of 357.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2,6-dimethoxy-3-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 22060227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).