6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine

C12H12FN3O — CID 115416925

IUPAC6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(F)ncn2)c(C)c1
InChIInChI=1S/C12H12FN3O/c1-8-5-9(17-2)3-4-10(8)16-12-6-11(13)14-7-15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyVZTRBKKZYPTCCM-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.68
Rot. Bonds3

About 6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine

6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine (PubChem CID 115416925) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
PubChem CID115416925
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(F)ncn2)c(C)c1
InChIInChI=1S/C12H12FN3O/c1-8-5-9(17-2)3-4-10(8)16-12-6-11(13)14-7-15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyVZTRBKKZYPTCCM-UHFFFAOYSA-N
XLogP2.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-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-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416284
6-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 115416307
N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine
CID 115416333
N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine
CID 103586880
N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115417237
4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824739
6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine
CID 63024300
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80825171
2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80919406
2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 55130091
5-iodo-N-(4-methoxy-2-methylphenyl)pyrimidin-2-amine
CID 116648971
4-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 62868013

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine (CID 115416925) is 6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine is COc1ccc(Nc2cc(F)ncn2)c(C)c1.
What is the InChIKey of 6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine?
The InChIKey is VZTRBKKZYPTCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-5-9(17-2)3-4-10(8)16-12-6-11(13)14-7-15-12/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine?
6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine has a molecular weight of 233.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 115416925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).