N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide

C14H14BrN3O2 — CID 66309191

IUPACN-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(=O)NCc2ccccc2)c(=O)c1Br
InChIInChI=1S/C14H14BrN3O2/c1-10-13(15)14(20)18(9-17-10)8-12(19)16-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,19)
InChIKeyFIQFITIMQWJKGZ-UHFFFAOYSA-N
MW336.19 g/mol
LogP1.63
Rot. Bonds4

About N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide

N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66309191) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID66309191
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC NameN-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(=O)NCc2ccccc2)c(=O)c1Br
InChIInChI=1S/C14H14BrN3O2/c1-10-13(15)14(20)18(9-17-10)8-12(19)16-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,19)
InChIKeyFIQFITIMQWJKGZ-UHFFFAOYSA-N
XLogP1.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 66307930
N-benzyl-2-[2-(benzylamino)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 70676682
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 66308143
N-benzyl-2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 25284279
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 90652784
N-benzyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 733717
N-benzyl-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7672416
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 8943774
N-benzyl-2-[5-(4-chlorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40824787
5-bromo-6-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 66311109
N-benzyl-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433640

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 66309191) is N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1ncn(CC(=O)NCc2ccccc2)c(=O)c1Br.
What is the InChIKey of N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is FIQFITIMQWJKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-10-13(15)14(20)18(9-17-10)8-12(19)16-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,19).
What are the key properties of N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 336.19 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66309191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).