1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide

C14H19N5O4 — CID 135448167

IUPAC1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1c(O)n(CCCC)c(=O)n(-c2nc(C)oc2C)c1=O
InChIInChI=1S/C14H19N5O4/c1-4-5-6-18-12(20)9(10(15)16)13(21)19(14(18)22)11-7(2)23-8(3)17-11/h20H,4-6H2,1-3H3,(H3,15,16)
InChIKeyWYFBZSRJZQXCJI-UHFFFAOYSA-N
MW321.34 g/mol
LogP0.39
Rot. Bonds5

About 1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide

1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide (PubChem CID 135448167) has the molecular formula C14H19N5O4 and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide.

Molecular Properties

Compound Name1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide
PubChem CID135448167
Molecular FormulaC14H19N5O4
Molecular Weight321.34 g/mol
Exact Mass321.14
IUPAC Name1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1c(O)n(CCCC)c(=O)n(-c2nc(C)oc2C)c1=O
InChIInChI=1S/C14H19N5O4/c1-4-5-6-18-12(20)9(10(15)16)13(21)19(14(18)22)11-7(2)23-8(3)17-11/h20H,4-6H2,1-3H3,(H3,15,16)
InChIKeyWYFBZSRJZQXCJI-UHFFFAOYSA-N
XLogP0.39
TPSA140.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide?
The IUPAC name of 1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide (CID 135448167) is 1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide.
What is the SMILES notation for 1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide?
The canonical SMILES for 1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide is [H]/N=C(\N)c1c(O)n(CCCC)c(=O)n(-c2nc(C)oc2C)c1=O.
What is the InChIKey of 1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide?
The InChIKey is WYFBZSRJZQXCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4/c1-4-5-6-18-12(20)9(10(15)16)13(21)19(14(18)22)11-7(2)23-8(3)17-11/h20H,4-6H2,1-3H3,(H3,15,16).
What are the key properties of 1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide?
1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide has a molecular weight of 321.34 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2,5-dimethyl-1,3-oxazol-4-yl)-6-hydroxy-2,4-dioxopyrimidine-5-carboximidamide is sourced from PubChem (CID 135448167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).