N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

C11H17N3O3 — CID 21204487

IUPACN-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-2-3-4-5-6-12-10(16)8-7-9(15)14-11(17)13-8/h7H,2-6H2,1H3,(H,12,16)(H2,13,14,15,17)
InChIKeyJVRQQYDFKWIOKD-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.37
Rot. Bonds6

About N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 21204487) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID21204487
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-2-3-4-5-6-12-10(16)8-7-9(15)14-11(17)13-8/h7H,2-6H2,1H3,(H,12,16)(H2,13,14,15,17)
InChIKeyJVRQQYDFKWIOKD-UHFFFAOYSA-N
XLogP0.37
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137635223
N-tert-butyl-2-(3-hexyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 137648160
5-(Cyclohexylmethylamino)-1,3-dihydropyrimidine-2,4-dione
CID 899001
N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide
CID 71654889
N-hexyl-5-methylamino-2,4-dioxo-pyrimidine-1-carboxamide
CID 71654964
2,4(1h,3h)-Pyrimidinedione, 5-(cyclohexylamino)-
CID 255373
N-Isopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 2227167
2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide
CID 110698284
Uracil, 1-cyclohexyl-5-(dimethylamino)-6-methyl-
CID 208421
N-cyclopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide
CID 1505767
N-tert-butyl-2-(3-butyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 137640026
N-butyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137640869

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 21204487) is N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is CCCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is JVRQQYDFKWIOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-3-4-5-6-12-10(16)8-7-9(15)14-11(17)13-8/h7H,2-6H2,1H3,(H,12,16)(H2,13,14,15,17).
What are the key properties of N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 21204487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).