N-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide

C11H16IN3O3 — CID 71654891

IUPACN-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(I)c(=O)[nH]c1=O
InChIInChI=1S/C11H16IN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
InChIKeyCCVKTQUZWQCGOE-UHFFFAOYSA-N
MW365.17 g/mol
LogP1.28
Rot. Bonds5

About N-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide

N-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 71654891) has the molecular formula C11H16IN3O3 and a molecular weight of 365.17 g/mol. Its IUPAC name is N-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide
PubChem CID71654891
Molecular FormulaC11H16IN3O3
Molecular Weight365.17 g/mol
Exact Mass365.02
IUPAC NameN-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(I)c(=O)[nH]c1=O
InChIInChI=1S/C11H16IN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
InChIKeyCCVKTQUZWQCGOE-UHFFFAOYSA-N
XLogP1.28
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 51.28
H-Bond Donors ≤ 52
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

Carmofur
CID 2577
6-Hexylamino-1H-pyrimidine-2,4-dione
CID 44349321
1(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-N-octyl-2,4-dioxo-
CID 116543
N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 10198639
5-bromo-N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71654962
5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654966
N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654967
3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654968
5-chloro-N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71718225
N-heptyl-2,4-dioxopyrimidine-1-carboxamide
CID 71655116
N-octyl-2,4-dioxopyrimidine-1-carboxamide
CID 71655117
N-nonyl-2,4-dioxopyrimidine-1-carboxamide
CID 71655119

Frequently Asked Questions

What is the IUPAC name of N-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide (CID 71654891) is N-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide is CCCCCCNC(=O)n1cc(I)c(=O)[nH]c1=O.
What is the InChIKey of N-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is CCVKTQUZWQCGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18).
What are the key properties of N-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide?
N-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 365.17 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-iodo-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 71654891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).