N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine

C11H8F3N3O — CID 113305662

IUPACN-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine
SMILESFc1cc(Nc2ccccc2OC(F)F)ncn1
InChIInChI=1S/C11H8F3N3O/c12-9-5-10(16-6-15-9)17-7-3-1-2-4-8(7)18-11(13)14/h1-6,11H,(H,15,16,17)
InChIKeyQSSXYNWMTLQCFD-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.96
Rot. Bonds4

About N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine

N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine (PubChem CID 113305662) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine
PubChem CID113305662
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC NameN-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine
SMILESFc1cc(Nc2ccccc2OC(F)F)ncn1
InChIInChI=1S/C11H8F3N3O/c12-9-5-10(16-6-15-9)17-7-3-1-2-4-8(7)18-11(13)14/h1-6,11H,(H,15,16,17)
InChIKeyQSSXYNWMTLQCFD-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-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

N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine
CID 80916501
6-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 115416307
2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine
CID 79172716
2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
CID 62336208
N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine
CID 115416269
6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine
CID 63734205
N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416331
N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115417237
6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
CID 80945139
6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine
CID 63734206
4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80729422
6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866173

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine (CID 113305662) is N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine is Fc1cc(Nc2ccccc2OC(F)F)ncn1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine?
The InChIKey is QSSXYNWMTLQCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-9-5-10(16-6-15-9)17-7-3-1-2-4-8(7)18-11(13)14/h1-6,11H,(H,15,16,17).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine?
N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine has a molecular weight of 255.20 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 113305662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).