N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide

C12H19N3O4 — CID 66522821

IUPACN-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1c(O)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-3-5-6-13-9(16)8-10(17)14-12(19)15(7-4-2)11(8)18/h18H,3-7H2,1-2H3,(H,13,16)(H,14,17,19)
InChIKeyPXRDFOAMXJAVOJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.18
Rot. Bonds6

About N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide

N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide (PubChem CID 66522821) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide
PubChem CID66522821
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1c(O)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-3-5-6-13-9(16)8-10(17)14-12(19)15(7-4-2)11(8)18/h18H,3-7H2,1-2H3,(H,13,16)(H,14,17,19)
InChIKeyPXRDFOAMXJAVOJ-UHFFFAOYSA-N
XLogP0.18
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.18
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-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide?
The IUPAC name of N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide (CID 66522821) is N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide is CCCCNC(=O)c1c(O)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide?
The InChIKey is PXRDFOAMXJAVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-5-6-13-9(16)8-10(17)14-12(19)15(7-4-2)11(8)18/h18H,3-7H2,1-2H3,(H,13,16)(H,14,17,19).
What are the key properties of N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide?
N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 66522821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).