N-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide

C11H15Cl2N3O2 — CID 114583015

IUPACN-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H15Cl2N3O2/c1-3-4-5-14-10(17)7(2)16-6-15-9(13)8(12)11(16)18/h6-7H,3-5H2,1-2H3,(H,14,17)
InChIKeyGZLRWBAKSKXQAP-UHFFFAOYSA-N
MW292.17 g/mol
LogP2.03
Rot. Bonds5

About N-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide

N-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114583015) has the molecular formula C11H15Cl2N3O2 and a molecular weight of 292.17 g/mol. Its IUPAC name is N-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
PubChem CID114583015
Molecular FormulaC11H15Cl2N3O2
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC NameN-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H15Cl2N3O2/c1-3-4-5-14-10(17)7(2)16-6-15-9(13)8(12)11(16)18/h6-7H,3-5H2,1-2H3,(H,14,17)
InChIKeyGZLRWBAKSKXQAP-UHFFFAOYSA-N
XLogP2.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 52.03
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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butylpropanamide
CID 113604264
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604275
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604279
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604291
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604293
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604300
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604307
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
5,6-Dichloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604312

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide (CID 114583015) is N-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide is CCCCNC(=O)C(C)n1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of N-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is GZLRWBAKSKXQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O2/c1-3-4-5-14-10(17)7(2)16-6-15-9(13)8(12)11(16)18/h6-7H,3-5H2,1-2H3,(H,14,17).
What are the key properties of N-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
N-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 292.17 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 114583015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).