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

C19H23BrN4O2 — CID 91904053

IUPACN-(4-bromophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2)c(N2CCC(C)CC2)n1
InChIInChI=1S/C19H23BrN4O2/c1-13-7-9-23(10-8-13)19-21-14(2)11-18(26)24(19)12-17(25)22-16-5-3-15(20)4-6-16/h3-6,11,13H,7-10,12H2,1-2H3,(H,22,25)
InChIKeyHNMOIYKGFNSOQN-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.19
Rot. Bonds4

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

N-(4-bromophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 91904053) has the molecular formula C19H23BrN4O2 and a molecular weight of 419.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide
PubChem CID91904053
Molecular FormulaC19H23BrN4O2
Molecular Weight419.32 g/mol
Exact Mass418.10
IUPAC NameN-(4-bromophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2)c(N2CCC(C)CC2)n1
InChIInChI=1S/C19H23BrN4O2/c1-13-7-9-23(10-8-13)19-21-14(2)11-18(26)24(19)12-17(25)22-16-5-3-15(20)4-6-16/h3-6,11,13H,7-10,12H2,1-2H3,(H,22,25)
InChIKeyHNMOIYKGFNSOQN-UHFFFAOYSA-N
XLogP3.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide (CID 91904053) is N-(4-bromophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide is Cc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2)c(N2CCC(C)CC2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is HNMOIYKGFNSOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O2/c1-13-7-9-23(10-8-13)19-21-14(2)11-18(26)24(19)12-17(25)22-16-5-3-15(20)4-6-16/h3-6,11,13H,7-10,12H2,1-2H3,(H,22,25).
What are the key properties of N-(4-bromophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 419.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 91904053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).