N-(4-bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide

C19H22BrFN4O2 — CID 91904048

IUPACN-(4-bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2F)c(N2CCC(C)CC2)n1
InChIInChI=1S/C19H22BrFN4O2/c1-12-5-7-24(8-6-12)19-22-13(2)9-18(27)25(19)11-17(26)23-16-4-3-14(20)10-15(16)21/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,23,26)
InChIKeyQCZCQFRLAXCORS-UHFFFAOYSA-N
MW437.31 g/mol
LogP3.33
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide

N-(4-bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 91904048) has the molecular formula C19H22BrFN4O2 and a molecular weight of 437.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide
PubChem CID91904048
Molecular FormulaC19H22BrFN4O2
Molecular Weight437.31 g/mol
Exact Mass436.09
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2F)c(N2CCC(C)CC2)n1
InChIInChI=1S/C19H22BrFN4O2/c1-12-5-7-24(8-6-12)19-22-13(2)9-18(27)25(19)11-17(26)23-16-4-3-14(20)10-15(16)21/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,23,26)
InChIKeyQCZCQFRLAXCORS-UHFFFAOYSA-N
XLogP3.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide (CID 91904048) is N-(4-bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide is Cc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2F)c(N2CCC(C)CC2)n1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is QCZCQFRLAXCORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN4O2/c1-12-5-7-24(8-6-12)19-22-13(2)9-18(27)25(19)11-17(26)23-16-4-3-14(20)10-15(16)21/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,23,26).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 437.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 91904048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).