5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine

C19H24F2N4 — CID 170925575

IUPAC5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine
SMILESCCN1CCCCC1CNc1ncc(-c2ccc(F)cc2F)c(C)n1
InChIInChI=1S/C19H24F2N4/c1-3-25-9-5-4-6-15(25)11-22-19-23-12-17(13(2)24-19)16-8-7-14(20)10-18(16)21/h7-8,10,12,15H,3-6,9,11H2,1-2H3,(H,22,23,24)
InChIKeyVYBOKRKUCSDVCG-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.02
Rot. Bonds5

About 5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine

5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine (PubChem CID 170925575) has the molecular formula C19H24F2N4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine
PubChem CID170925575
Molecular FormulaC19H24F2N4
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine
SMILESCCN1CCCCC1CNc1ncc(-c2ccc(F)cc2F)c(C)n1
InChIInChI=1S/C19H24F2N4/c1-3-25-9-5-4-6-15(25)11-22-19-23-12-17(13(2)24-19)16-8-7-14(20)10-18(16)21/h7-8,10,12,15H,3-6,9,11H2,1-2H3,(H,22,23,24)
InChIKeyVYBOKRKUCSDVCG-UHFFFAOYSA-N
XLogP4.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine?
The IUPAC name of 5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine (CID 170925575) is 5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine is CCN1CCCCC1CNc1ncc(-c2ccc(F)cc2F)c(C)n1.
What is the InChIKey of 5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine?
The InChIKey is VYBOKRKUCSDVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4/c1-3-25-9-5-4-6-15(25)11-22-19-23-12-17(13(2)24-19)16-8-7-14(20)10-18(16)21/h7-8,10,12,15H,3-6,9,11H2,1-2H3,(H,22,23,24).
What are the key properties of 5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine?
5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine has a molecular weight of 346.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 170925575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).