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

C11H14BrN3O2 — CID 66307930

IUPAC2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
SMILESCc1ncn(CC(=O)NCC2CC2)c(=O)c1Br
InChIInChI=1S/C11H14BrN3O2/c1-7-10(12)11(17)15(6-14-7)5-9(16)13-4-8-2-3-8/h6,8H,2-5H2,1H3,(H,13,16)
InChIKeyIVQNYSKLAKJPOQ-UHFFFAOYSA-N
MW300.16 g/mol
LogP0.84
Rot. Bonds4

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

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide (PubChem CID 66307930) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
PubChem CID66307930
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
SMILESCc1ncn(CC(=O)NCC2CC2)c(=O)c1Br
InChIInChI=1S/C11H14BrN3O2/c1-7-10(12)11(17)15(6-14-7)5-9(16)13-4-8-2-3-8/h6,8H,2-5H2,1H3,(H,13,16)
InChIKeyIVQNYSKLAKJPOQ-UHFFFAOYSA-N
XLogP0.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66309191
2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide
CID 104505835
5-bromo-3-(2-cyclopropylethyl)-6-methylpyrimidin-4-one
CID 66307921
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 66308143
5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66309620
3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 66308140
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 66308123
N-(cyclopropylmethyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624363
5-bromo-6-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 66311109
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 66309630
5-bromo-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
CID 66309421

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide (CID 66307930) is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide is Cc1ncn(CC(=O)NCC2CC2)c(=O)c1Br.
What is the InChIKey of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide?
The InChIKey is IVQNYSKLAKJPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-7-10(12)11(17)15(6-14-7)5-9(16)13-4-8-2-3-8/h6,8H,2-5H2,1H3,(H,13,16).
What are the key properties of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide?
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide has a molecular weight of 300.16 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 66307930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).