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

C11H16ClN3O2 — CID 114581941

IUPACN-butyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C11H16ClN3O2/c1-3-4-5-13-10(16)7-15-8(2)14-9(12)6-11(15)17/h6H,3-5,7H2,1-2H3,(H,13,16)
InChIKeyBQGLXEXBQAPMIH-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.12
Rot. Bonds5

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

N-butyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 114581941) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-butyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID114581941
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC NameN-butyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C11H16ClN3O2/c1-3-4-5-13-10(16)7-15-8(2)14-9(12)6-11(15)17/h6H,3-5,7H2,1-2H3,(H,13,16)
InChIKeyBQGLXEXBQAPMIH-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-butyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide (CID 114581941) is N-butyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide is CCCCNC(=O)Cn1c(C)nc(Cl)cc1=O.
What is the InChIKey of N-butyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is BQGLXEXBQAPMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-3-4-5-13-10(16)7-15-8(2)14-9(12)6-11(15)17/h6H,3-5,7H2,1-2H3,(H,13,16).
What are the key properties of N-butyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide?
N-butyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 257.72 g/mol, XLogP of 1.12, 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-2-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 114581941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).