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

C14H15F2N3 — CID 82827615

IUPAC6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2c(F)ccc(C)c2F)n1
InChIInChI=1S/C14H15F2N3/c1-4-11-18-10(7-12(17-3)19-11)13-9(15)6-5-8(2)14(13)16/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyNLOJDCGQWCKALU-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.33
Rot. Bonds3

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

6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine (PubChem CID 82827615) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine
PubChem CID82827615
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2c(F)ccc(C)c2F)n1
InChIInChI=1S/C14H15F2N3/c1-4-11-18-10(7-12(17-3)19-11)13-9(15)6-5-8(2)14(13)16/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyNLOJDCGQWCKALU-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine (CID 82827615) is 6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine is CCc1nc(NC)cc(-c2c(F)ccc(C)c2F)n1.
What is the InChIKey of 6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is NLOJDCGQWCKALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-4-11-18-10(7-12(17-3)19-11)13-9(15)6-5-8(2)14(13)16/h5-7H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine?
6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 263.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 82827615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).