N-hexyl-5-(methylamino)-2,4-dioxopyrimidine-1-carboxamide

C12H20N4O3 — CID 71654964

IUPACN-hexyl-5-(methylamino)-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(NC)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O3/c1-3-4-5-6-7-14-11(18)16-8-9(13-2)10(17)15-12(16)19/h8,13H,3-7H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyAKFJHMZDHFEJLR-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.72
Rot. Bonds6

About N-hexyl-5-(methylamino)-2,4-dioxopyrimidine-1-carboxamide

N-hexyl-5-(methylamino)-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 71654964) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-hexyl-5-(methylamino)-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-hexyl-5-(methylamino)-2,4-dioxopyrimidine-1-carboxamide
PubChem CID71654964
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-hexyl-5-(methylamino)-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(NC)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O3/c1-3-4-5-6-7-14-11(18)16-8-9(13-2)10(17)15-12(16)19/h8,13H,3-7H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyAKFJHMZDHFEJLR-UHFFFAOYSA-N
XLogP0.72
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(methylamino)-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-hexyl-5-(methylamino)-2,4-dioxopyrimidine-1-carboxamide (CID 71654964) is N-hexyl-5-(methylamino)-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-hexyl-5-(methylamino)-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-hexyl-5-(methylamino)-2,4-dioxopyrimidine-1-carboxamide is CCCCCCNC(=O)n1cc(NC)c(=O)[nH]c1=O.
What is the InChIKey of N-hexyl-5-(methylamino)-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is AKFJHMZDHFEJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-4-5-6-7-14-11(18)16-8-9(13-2)10(17)15-12(16)19/h8,13H,3-7H2,1-2H3,(H,14,18)(H,15,17,19).
What are the key properties of N-hexyl-5-(methylamino)-2,4-dioxopyrimidine-1-carboxamide?
N-hexyl-5-(methylamino)-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-(methylamino)-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 71654964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).