2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide

C13H20ClN3O3 — CID 114585430

IUPAC2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)n1cnc(Cl)c(OC)c1=O
InChIInChI=1S/C13H20ClN3O3/c1-4-5-6-7-15-12(18)9(2)17-8-16-11(14)10(20-3)13(17)19/h8-9H,4-7H2,1-3H3,(H,15,18)
InChIKeyIJIGBTRBISWODL-UHFFFAOYSA-N
MW301.77 g/mol
LogP1.77
Rot. Bonds7

About 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide (PubChem CID 114585430) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide
PubChem CID114585430
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)n1cnc(Cl)c(OC)c1=O
InChIInChI=1S/C13H20ClN3O3/c1-4-5-6-7-15-12(18)9(2)17-8-16-11(14)10(20-3)13(17)19/h8-9H,4-7H2,1-3H3,(H,15,18)
InChIKeyIJIGBTRBISWODL-UHFFFAOYSA-N
XLogP1.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 114585324
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 114584085
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114585409
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114585181
6-chloro-3-hexyl-5-methoxypyrimidin-4-one
CID 114585335
3-but-3-en-2-yl-6-chloro-5-methoxypyrimidin-4-one
CID 114585139
2-(4-chloro-5-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19533617
2-(3-methoxy-4-nitropyrazol-1-yl)-N-octadecylpropanamide
CID 19528152
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide
CID 114585387
2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19536880
2-[(6-methoxy-3-pyridinyl)amino]-N-pentylpropanamide
CID 43114026
2-(2-carbamothioylpyrrol-1-yl)-N-pentylpropanamide
CID 114654145

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide?
The IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide (CID 114585430) is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide.
What is the SMILES notation for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide?
The canonical SMILES for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide is CCCCCNC(=O)C(C)n1cnc(Cl)c(OC)c1=O.
What is the InChIKey of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide?
The InChIKey is IJIGBTRBISWODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3/c1-4-5-6-7-15-12(18)9(2)17-8-16-11(14)10(20-3)13(17)19/h8-9H,4-7H2,1-3H3,(H,15,18).
What are the key properties of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide?
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide has a molecular weight of 301.77 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide is sourced from PubChem (CID 114585430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).