6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine

C14H15F2N3 — CID 107514579

IUPAC6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(-c2ccc(C)c(F)c2F)n1
InChIInChI=1S/C14H15F2N3/c1-4-10-18-13(8(3)14(17)19-10)9-6-5-7(2)11(15)12(9)16/h5-6H,4H2,1-3H3,(H2,17,18,19)
InChIKeyRSAVYPGQQACKRS-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.18
Rot. Bonds2

About 6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine

6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 107514579) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID107514579
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(-c2ccc(C)c(F)c2F)n1
InChIInChI=1S/C14H15F2N3/c1-4-10-18-13(8(3)14(17)19-10)9-6-5-7(2)11(15)12(9)16/h5-6H,4H2,1-3H3,(H2,17,18,19)
InChIKeyRSAVYPGQQACKRS-UHFFFAOYSA-N
XLogP3.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3-difluoro-4-methylphenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 107514529
2-ethyl-6-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974700
6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80976858
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80977034
2-ethyl-5-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 80975340
2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine
CID 103144327
2-ethyl-5-methyl-6-pyrimidin-5-ylpyrimidin-4-amine
CID 80975669
6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80975228
6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80976055
6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80975052
2-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 106681484
6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 106882792

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine (CID 107514579) is 6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine is CCc1nc(N)c(C)c(-c2ccc(C)c(F)c2F)n1.
What is the InChIKey of 6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is RSAVYPGQQACKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-4-10-18-13(8(3)14(17)19-10)9-6-5-7(2)11(15)12(9)16/h5-6H,4H2,1-3H3,(H2,17,18,19).
What are the key properties of 6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine?
6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 263.29 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluoro-4-methylphenyl)-2-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 107514579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).