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

C22H23BrN4O2 — CID 91904095

IUPAC2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2-bromophenyl)methyl]acetamide
SMILESCc1cc(=O)n(CC(=O)NCc2ccccc2Br)c(N(C)Cc2ccccc2)n1
InChIInChI=1S/C22H23BrN4O2/c1-16-12-21(29)27(15-20(28)24-13-18-10-6-7-11-19(18)23)22(25-16)26(2)14-17-8-4-3-5-9-17/h3-12H,13-15H2,1-2H3,(H,24,28)
InChIKeyWIWVONSRXVHUDM-UHFFFAOYSA-N
MW455.36 g/mol
LogP3.27
Rot. Bonds7

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

2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2-bromophenyl)methyl]acetamide (PubChem CID 91904095) has the molecular formula C22H23BrN4O2 and a molecular weight of 455.36 g/mol. Its IUPAC name is 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2-bromophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2-bromophenyl)methyl]acetamide
PubChem CID91904095
Molecular FormulaC22H23BrN4O2
Molecular Weight455.36 g/mol
Exact Mass454.10
IUPAC Name2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2-bromophenyl)methyl]acetamide
SMILESCc1cc(=O)n(CC(=O)NCc2ccccc2Br)c(N(C)Cc2ccccc2)n1
InChIInChI=1S/C22H23BrN4O2/c1-16-12-21(29)27(15-20(28)24-13-18-10-6-7-11-19(18)23)22(25-16)26(2)14-17-8-4-3-5-9-17/h3-12H,13-15H2,1-2H3,(H,24,28)
InChIKeyWIWVONSRXVHUDM-UHFFFAOYSA-N
XLogP3.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2-bromophenyl)methyl]acetamide?
The IUPAC name of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2-bromophenyl)methyl]acetamide (CID 91904095) is 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2-bromophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2-bromophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2-bromophenyl)methyl]acetamide is Cc1cc(=O)n(CC(=O)NCc2ccccc2Br)c(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2-bromophenyl)methyl]acetamide?
The InChIKey is WIWVONSRXVHUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O2/c1-16-12-21(29)27(15-20(28)24-13-18-10-6-7-11-19(18)23)22(25-16)26(2)14-17-8-4-3-5-9-17/h3-12H,13-15H2,1-2H3,(H,24,28).
What are the key properties of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2-bromophenyl)methyl]acetamide?
2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2-bromophenyl)methyl]acetamide has a molecular weight of 455.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-[(2-bromophenyl)methyl]acetamide is sourced from PubChem (CID 91904095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).