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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine
CID 170925579
5-(2,4-difluorophenyl)-4-methyl-N-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 170925553
5-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
CID 170925600
N-[[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(2,4-difluorophenyl)-4-methylpyrimidin-2-amine
CID 170925557
2-N-(2,4-difluorophenyl)-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 142668736
2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80777288
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 131930538
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294689
5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
CID 170925530
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80944062

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).