2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide

C11H13BrClN3O2 — CID 114583697

IUPAC2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
SMILESO=C(Cn1cnc(Cl)c(Br)c1=O)NC1CCCC1
InChIInChI=1S/C11H13BrClN3O2/c12-9-10(13)14-6-16(11(9)18)5-8(17)15-7-3-1-2-4-7/h6-7H,1-5H2,(H,15,17)
InChIKeyYUPUHROEWUBYOT-UHFFFAOYSA-N
MW334.60 g/mol
LogP1.72
Rot. Bonds3

About 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide

2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide (PubChem CID 114583697) has the molecular formula C11H13BrClN3O2 and a molecular weight of 334.60 g/mol. Its IUPAC name is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
PubChem CID114583697
Molecular FormulaC11H13BrClN3O2
Molecular Weight334.60 g/mol
Exact Mass332.99
IUPAC Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
SMILESO=C(Cn1cnc(Cl)c(Br)c1=O)NC1CCCC1
InChIInChI=1S/C11H13BrClN3O2/c12-9-10(13)14-6-16(11(9)18)5-8(17)15-7-3-1-2-4-7/h6-7H,1-5H2,(H,15,17)
InChIKeyYUPUHROEWUBYOT-UHFFFAOYSA-N
XLogP1.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
CID 114582836
2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide
CID 78961186
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 114583395
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114583609
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 114583560
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114583334
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 114583701
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
2-(9-chloro-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl)-N-cyclopentylacetamide
CID 50773482
2-[3-(4-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-cyclopentylacetamide
CID 7476025
N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114583075

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide?
The IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide (CID 114583697) is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide is O=C(Cn1cnc(Cl)c(Br)c1=O)NC1CCCC1.
What is the InChIKey of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide?
The InChIKey is YUPUHROEWUBYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3O2/c12-9-10(13)14-6-16(11(9)18)5-8(17)15-7-3-1-2-4-7/h6-7H,1-5H2,(H,15,17).
What are the key properties of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide?
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide has a molecular weight of 334.60 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 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-cyclopentylacetamide is sourced from PubChem (CID 114583697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).