N-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide

C11H16ClN3O2 — CID 114582150

IUPACN-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C11H16ClN3O2/c1-3-4-5-13-11(17)8(2)15-7-14-9(12)6-10(15)16/h6-8H,3-5H2,1-2H3,(H,13,17)
InChIKeyBDZUIPSXQMHWJM-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.37
Rot. Bonds5

About N-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide

N-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114582150) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide
PubChem CID114582150
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC NameN-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C11H16ClN3O2/c1-3-4-5-13-11(17)8(2)15-7-14-9(12)6-10(15)16/h6-8H,3-5H2,1-2H3,(H,13,17)
InChIKeyBDZUIPSXQMHWJM-UHFFFAOYSA-N
XLogP1.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(6-oxopyrimidin-1-yl)butanamide
CID 141040928
3-[2-(Propylamino)butyl]pyrimidin-4-one
CID 63767948
3-[2-(Ethylamino)butyl]pyrimidin-4-one
CID 63769698
N-butyl-2-(6-oxopyrimidin-1-yl)acetamide
CID 95921861
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604166
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604170
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 113604171
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604185
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 113604189
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 113604199
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
6-Chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604205

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide (CID 114582150) is N-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide is CCCCNC(=O)C(C)n1cnc(Cl)cc1=O.
What is the InChIKey of N-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is BDZUIPSXQMHWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-3-4-5-13-11(17)8(2)15-7-14-9(12)6-10(15)16/h6-8H,3-5H2,1-2H3,(H,13,17).
What are the key properties of N-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
N-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 257.72 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 114582150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).