N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine

C12H12FN3O — CID 133362348

IUPACN-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine
SMILESCOc1cc(F)cc(Nc2nccc(C)n2)c1
InChIInChI=1S/C12H12FN3O/c1-8-3-4-14-12(15-8)16-10-5-9(13)6-11(7-10)17-2/h3-7H,1-2H3,(H,14,15,16)
InChIKeyIDFMVFYIOFIMOE-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.68
Rot. Bonds3

About N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine

N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine (PubChem CID 133362348) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine
PubChem CID133362348
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine
SMILESCOc1cc(F)cc(Nc2nccc(C)n2)c1
InChIInChI=1S/C12H12FN3O/c1-8-3-4-14-12(15-8)16-10-5-9(13)6-11(7-10)17-2/h3-7H,1-2H3,(H,14,15,16)
InChIKeyIDFMVFYIOFIMOE-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 N-(3-fluoro-5-methoxyphenyl)-4-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

N-(2-methoxy-4-pyridinyl)-4-methylpyrimidin-2-amine
CID 66596222
N-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine
CID 67249356
4-chloro-N-(3-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine
CID 87388049
4-N-(3-fluoro-5-methoxyphenyl)-5-methylpyrimidine-2,4-diamine
CID 114262867
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
1-(3,4-difluorophenyl)-N-(3-fluoro-5-methoxyphenyl)-1,2,4-triazol-3-amine
CID 134589554
N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10272121
N-(3,5-dimethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 25169255
N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
CID 133356956
3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine
CID 141168476
5-bromo-N-(3-fluoro-5-methoxyphenyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 59354696
methyl 2-(3-fluoro-5-methoxyanilino)pyridine-3-carboxylate;methyl 2-fluoropyridine-3-carboxylate
CID 162265180

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine?
The IUPAC name of N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine (CID 133362348) is N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine is COc1cc(F)cc(Nc2nccc(C)n2)c1.
What is the InChIKey of N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine?
The InChIKey is IDFMVFYIOFIMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-3-4-14-12(15-8)16-10-5-9(13)6-11(7-10)17-2/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine?
N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-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 N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 133362348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).