6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine

C15H18FN3 — CID 80952716

IUPAC6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2cc(C)cc(F)c2)nc(C(C)C)n1
InChIInChI=1S/C15H18FN3/c1-9(2)15-18-13(8-14(17-4)19-15)11-5-10(3)6-12(16)7-11/h5-9H,1-4H3,(H,17,18,19)
InChIKeyXNRQSBRJVUDSOY-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.76
Rot. Bonds3

About 6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine

6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80952716) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80952716
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2cc(C)cc(F)c2)nc(C(C)C)n1
InChIInChI=1S/C15H18FN3/c1-9(2)15-18-13(8-14(17-4)19-15)11-5-10(3)6-12(16)7-11/h5-9H,1-4H3,(H,17,18,19)
InChIKeyXNRQSBRJVUDSOY-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80952608
N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
CID 116546243
4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 107371100
6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80952634
6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 115503725
4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967150
6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952017
N-methyl-2-propan-2-yl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952028
4-N-(4-fluorophenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958179
4-N-(3,4-dimethylphenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956276
4-N-[(3,4-difluorophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961685
4-N-(2,4-dimethylphenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955466

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80952716) is 6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine is CNc1cc(-c2cc(C)cc(F)c2)nc(C(C)C)n1.
What is the InChIKey of 6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is XNRQSBRJVUDSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-9(2)15-18-13(8-14(17-4)19-15)11-5-10(3)6-12(16)7-11/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of 6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80952716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).