4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine

C22H27FN6 — CID 23133387

IUPAC4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(C)CC2)n1
InChIInChI=1S/C22H27FN6/c1-15(2)26-22-24-11-8-19(27-22)21-20(16-4-6-17(23)7-5-16)25-14-29(21)18-9-12-28(3)13-10-18/h4-8,11,14-15,18H,9-10,12-13H2,1-3H3,(H,24,26,27)
InChIKeyYYDDMXDPAQDGME-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.23
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine

4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 23133387) has the molecular formula C22H27FN6 and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID23133387
Molecular FormulaC22H27FN6
Molecular Weight394.50 g/mol
Exact Mass394.23
IUPAC Name4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(C)CC2)n1
InChIInChI=1S/C22H27FN6/c1-15(2)26-22-24-11-8-19(27-22)21-20(16-4-6-17(23)7-5-16)25-14-29(21)18-9-12-28(3)13-10-18/h4-8,11,14-15,18H,9-10,12-13H2,1-3H3,(H,24,26,27)
InChIKeyYYDDMXDPAQDGME-UHFFFAOYSA-N
XLogP4.23
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
CID 23133386
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 162424586
N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine
CID 142630915
1-ethynyl-4-[4-(4-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]cyclohexan-1-ol
CID 152782025
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
CID 135370833
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
CID 90465127
4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine
CID 70225638
N-[(1R)-1-cyclohexylethyl]-4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]pyrimidin-2-amine
CID 162424573
4-[4-(4-fluorophenyl)-5-[2-(hydroxymethyl)pyrimidin-4-yl]imidazol-1-yl]cyclohexan-1-ol
CID 58473081
4-(4-fluorophenyl)-1-methyl-2-(1-methylpiperidin-4-yl)-5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]pyrazol-3-one;(1S)-1-phenylethanamine
CID 91422675
4-[2-(4-fluorophenyl)-5,5-dioxo-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-3-yl]-N-propan-2-ylpyrimidin-2-amine
CID 68511854
benzyl N-[4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamate
CID 153461579

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine (CID 23133387) is 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(C)CC2)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is YYDDMXDPAQDGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6/c1-15(2)26-22-24-11-8-19(27-22)21-20(16-4-6-17(23)7-5-16)25-14-29(21)18-9-12-28(3)13-10-18/h4-8,11,14-15,18H,9-10,12-13H2,1-3H3,(H,24,26,27).
What are the key properties of 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 394.50 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 23133387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).