4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine

C12H11F2N3O — CID 63549274

IUPAC4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C12H11F2N3O/c1-15-12-16-7-6-10(17-12)8-2-4-9(5-3-8)18-11(13)14/h2-7,11H,1H3,(H,15,16,17)
InChIKeyADVCRJZOFBHVEN-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.79
Rot. Bonds4

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

4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine (PubChem CID 63549274) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine
PubChem CID63549274
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C12H11F2N3O/c1-15-12-16-7-6-10(17-12)8-2-4-9(5-3-8)18-11(13)14/h2-7,11H,1H3,(H,15,16,17)
InChIKeyADVCRJZOFBHVEN-UHFFFAOYSA-N
XLogP2.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-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

Thonzylamine
CID 5457
Thonzonium
CID 5456
Thonzylamine Hydrochloride
CID 6136
Thonzonium Bromide
CID 11102
4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
7-Methoxyquinazoline
CID 12213273
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
(2s)-2-(4-Methoxy-3,5-Dimethylphenyl)-5-Methyl-2-(3-Pyrimidin-5-Ylphenyl)-2h-Imidazol-4-Amine
CID 49836033

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine (CID 63549274) is 4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine is CNc1nccc(-c2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine?
The InChIKey is ADVCRJZOFBHVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-15-12-16-7-6-10(17-12)8-2-4-9(5-3-8)18-11(13)14/h2-7,11H,1H3,(H,15,16,17).
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine?
4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine has a molecular weight of 251.24 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 63549274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).