2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide

C10H13BrClN3O2 — CID 114583353

IUPAC2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C10H13BrClN3O2/c1-6(2)14(3)7(16)4-15-5-13-9(12)8(11)10(15)17/h5-6H,4H2,1-3H3
InChIKeyNRZWTQNMIFSEQM-UHFFFAOYSA-N
MW322.59 g/mol
LogP1.53
Rot. Bonds3

About 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide

2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 114583353) has the molecular formula C10H13BrClN3O2 and a molecular weight of 322.59 g/mol. Its IUPAC name is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID114583353
Molecular FormulaC10H13BrClN3O2
Molecular Weight322.59 g/mol
Exact Mass320.99
IUPAC Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C10H13BrClN3O2/c1-6(2)14(3)7(16)4-15-5-13-9(12)8(11)10(15)17/h5-6H,4H2,1-3H3
InChIKeyNRZWTQNMIFSEQM-UHFFFAOYSA-N
XLogP1.53
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 66308123
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 66308959
2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 66309556
2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 66309573
2-(5-bromo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 66309578
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 66309630
2-(5-bromo-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 66309770
2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 66309788
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 66309839
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
CID 66310683
2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
CID 66310850
5-Bromo-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885730

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 114583353) is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is NRZWTQNMIFSEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3O2/c1-6(2)14(3)7(16)4-15-5-13-9(12)8(11)10(15)17/h5-6H,4H2,1-3H3.
What are the key properties of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 322.59 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 114583353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).