[4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone

C24H31FN4O — CID 83286351

IUPAC[4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone
SMILESCCC(C)c1nc(C)c(Cc2ccccc2F)c(N2CCN(C(=O)C3CC3)CC2)n1
InChIInChI=1S/C24H31FN4O/c1-4-16(2)22-26-17(3)20(15-19-7-5-6-8-21(19)25)23(27-22)28-11-13-29(14-12-28)24(30)18-9-10-18/h5-8,16,18H,4,9-15H2,1-3H3
InChIKeyALCAKIHOLWGYGS-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.09
Rot. Bonds6

About [4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone

[4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 83286351) has the molecular formula C24H31FN4O and a molecular weight of 410.54 g/mol. Its IUPAC name is [4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone
PubChem CID83286351
Molecular FormulaC24H31FN4O
Molecular Weight410.54 g/mol
Exact Mass410.25
IUPAC Name[4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone
SMILESCCC(C)c1nc(C)c(Cc2ccccc2F)c(N2CCN(C(=O)C3CC3)CC2)n1
InChIInChI=1S/C24H31FN4O/c1-4-16(2)22-26-17(3)20(15-19-7-5-6-8-21(19)25)23(27-22)28-11-13-29(14-12-28)24(30)18-9-10-18/h5-8,16,18H,4,9-15H2,1-3H3
InChIKeyALCAKIHOLWGYGS-UHFFFAOYSA-N
XLogP4.09
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone (CID 83286351) is [4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone is CCC(C)c1nc(C)c(Cc2ccccc2F)c(N2CCN(C(=O)C3CC3)CC2)n1.
What is the InChIKey of [4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is ALCAKIHOLWGYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O/c1-4-16(2)22-26-17(3)20(15-19-7-5-6-8-21(19)25)23(27-22)28-11-13-29(14-12-28)24(30)18-9-10-18/h5-8,16,18H,4,9-15H2,1-3H3.
What are the key properties of [4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone?
[4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 410.54 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 83286351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).