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

C12H17ClIN3O2 — CID 114584085

IUPAC2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)n1cnc(Cl)c(I)c1=O
InChIInChI=1S/C12H17ClIN3O2/c1-3-4-5-6-15-11(18)8(2)17-7-16-10(13)9(14)12(17)19/h7-8H,3-6H2,1-2H3,(H,15,18)
InChIKeyGUISPRAYWMTSKH-UHFFFAOYSA-N
MW397.64 g/mol
LogP2.37
Rot. Bonds6

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

2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide (PubChem CID 114584085) has the molecular formula C12H17ClIN3O2 and a molecular weight of 397.64 g/mol. Its IUPAC name is 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide
PubChem CID114584085
Molecular FormulaC12H17ClIN3O2
Molecular Weight397.64 g/mol
Exact Mass397.01
IUPAC Name2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)n1cnc(Cl)c(I)c1=O
InChIInChI=1S/C12H17ClIN3O2/c1-3-4-5-6-15-11(18)8(2)17-7-16-10(13)9(14)12(17)19/h7-8H,3-6H2,1-2H3,(H,15,18)
InChIKeyGUISPRAYWMTSKH-UHFFFAOYSA-N
XLogP2.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.64
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 114585430
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583580
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 114585324
2-(4-chloro-5-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19533617
(2S)-2-(benzimidazol-1-yl)-N-[4-(4-chlorophenoxy)butyl]propanamide
CID 51729342
2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19536880
2-(2-carbamothioylpyrrol-1-yl)-N-pentylpropanamide
CID 114654145
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide
CID 19535664
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114585409
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide
CID 114582373
N-butyl-2-(3-cyano-1,2,4-triazol-1-yl)propanamide
CID 55210277
1-[1-(butylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride
CID 82913170

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide?
The IUPAC name of 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide (CID 114584085) is 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide.
What is the SMILES notation for 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide?
The canonical SMILES for 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide is CCCCCNC(=O)C(C)n1cnc(Cl)c(I)c1=O.
What is the InChIKey of 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide?
The InChIKey is GUISPRAYWMTSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClIN3O2/c1-3-4-5-6-15-11(18)8(2)17-7-16-10(13)9(14)12(17)19/h7-8H,3-6H2,1-2H3,(H,15,18).
What are the key properties of 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide?
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide has a molecular weight of 397.64 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentylpropanamide is sourced from PubChem (CID 114584085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).