6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine

C13H14FN3O — CID 115502976

IUPAC6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(-c2cccc(F)c2C)c1OC
InChIInChI=1S/C13H14FN3O/c1-8-9(5-4-6-10(8)14)11-12(18-3)13(15-2)17-7-16-11/h4-7H,1-3H3,(H,15,16,17)
InChIKeyRCCSQVQRMDJTQQ-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.64
Rot. Bonds3

About 6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine

6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine (PubChem CID 115502976) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine
PubChem CID115502976
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(-c2cccc(F)c2C)c1OC
InChIInChI=1S/C13H14FN3O/c1-8-9(5-4-6-10(8)14)11-12(18-3)13(15-2)17-7-16-11/h4-7H,1-3H3,(H,15,16,17)
InChIKeyRCCSQVQRMDJTQQ-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine
CID 115505231
N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 115503017
6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine
CID 113324521
4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 115502955
4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine
CID 115502906
6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502956
4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 82822681
4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502928
3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione
CID 106520172
N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine
CID 104739182
5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734578
6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine
CID 113324652

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine (CID 115502976) is 6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine is CNc1ncnc(-c2cccc(F)c2C)c1OC.
What is the InChIKey of 6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine?
The InChIKey is RCCSQVQRMDJTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8-9(5-4-6-10(8)14)11-12(18-3)13(15-2)17-7-16-11/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of 6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine?
6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine has a molecular weight of 247.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 115502976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).