4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine

C12H12FN3O — CID 82390103

IUPAC4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine
SMILESCOc1ccc(F)cc1-c1ncnc(C)c1N
InChIInChI=1S/C12H12FN3O/c1-7-11(14)12(16-6-15-7)9-5-8(13)3-4-10(9)17-2/h3-6H,14H2,1-2H3
InChIKeyHFBSKUVMLZZKDE-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.18
Rot. Bonds2

About 4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine

4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine (PubChem CID 82390103) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine
PubChem CID82390103
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine
SMILESCOc1ccc(F)cc1-c1ncnc(C)c1N
InChIInChI=1S/C12H12FN3O/c1-7-11(14)12(16-6-15-7)9-5-8(13)3-4-10(9)17-2/h3-6H,14H2,1-2H3
InChIKeyHFBSKUVMLZZKDE-UHFFFAOYSA-N
XLogP2.18
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine
CID 82391060
7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine
CID 68912839
3-(5-fluoro-2-methoxyphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106518375
4-(5-fluoro-2-methoxyphenyl)pyrimidine
CID 141365926
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80977034
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-5-amine
CID 82483013
4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 134708059
2-fluoro-4-(5-fluoro-2-methoxyphenyl)aniline
CID 54912635
4-(5-fluoro-2-methoxyphenyl)-3-methylaniline
CID 54912636
4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136955594
6-(5-fluoro-2-methoxyphenyl)pyridin-2-amine
CID 61026023
4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole
CID 4984858

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine (CID 82390103) is 4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine is COc1ccc(F)cc1-c1ncnc(C)c1N.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine?
The InChIKey is HFBSKUVMLZZKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-7-11(14)12(16-6-15-7)9-5-8(13)3-4-10(9)17-2/h3-6H,14H2,1-2H3.
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine?
4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine has a molecular weight of 233.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine is sourced from PubChem (CID 82390103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).