5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine

C11H7F4N3O — CID 142722134

IUPAC5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine
SMILESNc1ncc(OCc2c(F)c(F)cc(F)c2F)cn1
InChIInChI=1S/C11H7F4N3O/c12-7-1-8(13)10(15)6(9(7)14)4-19-5-2-17-11(16)18-3-5/h1-3H,4H2,(H2,16,17,18)
InChIKeyAOPDZLKSNCWAIE-UHFFFAOYSA-N
MW273.19 g/mol
LogP2.19
Rot. Bonds3

About 5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine

5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine (PubChem CID 142722134) has the molecular formula C11H7F4N3O and a molecular weight of 273.19 g/mol. Its IUPAC name is 5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine
PubChem CID142722134
Molecular FormulaC11H7F4N3O
Molecular Weight273.19 g/mol
Exact Mass273.05
IUPAC Name5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine
SMILESNc1ncc(OCc2c(F)c(F)cc(F)c2F)cn1
InChIInChI=1S/C11H7F4N3O/c12-7-1-8(13)10(15)6(9(7)14)4-19-5-2-17-11(16)18-3-5/h1-3H,4H2,(H2,16,17,18)
InChIKeyAOPDZLKSNCWAIE-UHFFFAOYSA-N
XLogP2.19
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine 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

5-(2-aminoethoxy)pyrimidin-2-amine
CID 117229813
5-phenylmethoxypyrimidin-2-amine
CID 20748397
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine
CID 141433703
N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine
CID 86719261
2-[4-[[5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]ethyl methanesulfonate
CID 90163871
5-[3-(methylamino)propoxy]pyrimidin-2-amine
CID 117231268
2-[(3-amino-4-fluorophenoxy)methyl]-3,4-difluorophenol
CID 59334372
2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]aniline
CID 171465835
5-(difluoromethoxy)pyrimidin-2-amine
CID 139417201
4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine
CID 171465706
2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine
CID 122604606
5-[(3-amino-2,6-difluorophenyl)methoxy]-3-[(E)-1-phenylbut-1-enyl]pyridin-2-amine
CID 164593563

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine?
The IUPAC name of 5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine (CID 142722134) is 5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine.
What is the SMILES notation for 5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine?
The canonical SMILES for 5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine is Nc1ncc(OCc2c(F)c(F)cc(F)c2F)cn1.
What is the InChIKey of 5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine?
The InChIKey is AOPDZLKSNCWAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4N3O/c12-7-1-8(13)10(15)6(9(7)14)4-19-5-2-17-11(16)18-3-5/h1-3H,4H2,(H2,16,17,18).
What are the key properties of 5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine?
5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine has a molecular weight of 273.19 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine is sourced from PubChem (CID 142722134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).