6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine

C12H12FN3O — CID 82811355

IUPAC6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine
SMILESCOc1cccc(-c2cc(N)nc(C)n2)c1F
InChIInChI=1S/C12H12FN3O/c1-7-15-9(6-11(14)16-7)8-4-3-5-10(17-2)12(8)13/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyKYIQNDPSIOYQSQ-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.18
Rot. Bonds2

About 6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine

6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine (PubChem CID 82811355) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine
PubChem CID82811355
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine
SMILESCOc1cccc(-c2cc(N)nc(C)n2)c1F
InChIInChI=1S/C12H12FN3O/c1-7-15-9(6-11(14)16-7)8-4-3-5-10(17-2)12(8)13/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyKYIQNDPSIOYQSQ-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-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine
CID 82812450
6-(2-fluoro-3-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 82811627
4-(2-fluoro-3-methoxyphenyl)pyrimidin-2-amine
CID 82812333
4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline
CID 107593742
6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine
CID 82303503
6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123676574
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine
CID 82811061
4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563487
6-(2-fluoro-3-methoxyphenyl)-8-N-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 139395999
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
CID 50961650
6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine
CID 82812009
4-(2-fluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295549

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine (CID 82811355) is 6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine is COc1cccc(-c2cc(N)nc(C)n2)c1F.
What is the InChIKey of 6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine?
The InChIKey is KYIQNDPSIOYQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-7-15-9(6-11(14)16-7)8-4-3-5-10(17-2)12(8)13/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine?
6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-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 6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 82811355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).