N-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide

C15H24N4O4 — CID 71654888

IUPACN-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(N2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O4/c1-2-3-4-5-6-16-14(21)19-11-12(13(20)17-15(19)22)18-7-9-23-10-8-18/h11H,2-10H2,1H3,(H,16,21)(H,17,20,22)
InChIKeyRGKUHRPLIWRTSV-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.51
Rot. Bonds6

About N-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide

N-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 71654888) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide
PubChem CID71654888
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC NameN-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(N2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O4/c1-2-3-4-5-6-16-14(21)19-11-12(13(20)17-15(19)22)18-7-9-23-10-8-18/h11H,2-10H2,1H3,(H,16,21)(H,17,20,22)
InChIKeyRGKUHRPLIWRTSV-UHFFFAOYSA-N
XLogP0.51
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide (CID 71654888) is N-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide is CCCCCCNC(=O)n1cc(N2CCOCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is RGKUHRPLIWRTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-2-3-4-5-6-16-14(21)19-11-12(13(20)17-15(19)22)18-7-9-23-10-8-18/h11H,2-10H2,1H3,(H,16,21)(H,17,20,22).
What are the key properties of N-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide?
N-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-morpholin-4-yl-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 71654888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).