N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C17H25N5O5 — CID 25102501

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOCCN(C(=O)c1c(C)noc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C17H25N5O5/c1-9(2)8-22-14(18)13(15(23)19-17(22)25)21(6-7-26-5)16(24)12-10(3)20-27-11(12)4/h9H,6-8,18H2,1-5H3,(H,19,23,25)
InChIKeyHRBNDPHXPDCAHF-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.67
Rot. Bonds7

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 25102501) has the molecular formula C17H25N5O5 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID25102501
Molecular FormulaC17H25N5O5
Molecular Weight379.42 g/mol
Exact Mass379.19
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOCCN(C(=O)c1c(C)noc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C17H25N5O5/c1-9(2)8-22-14(18)13(15(23)19-17(22)25)21(6-7-26-5)16(24)12-10(3)20-27-11(12)4/h9H,6-8,18H2,1-5H3,(H,19,23,25)
InChIKeyHRBNDPHXPDCAHF-UHFFFAOYSA-N
XLogP0.67
TPSA136.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 25102501) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is COCCN(C(=O)c1c(C)noc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is HRBNDPHXPDCAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O5/c1-9(2)8-22-14(18)13(15(23)19-17(22)25)21(6-7-26-5)16(24)12-10(3)20-27-11(12)4/h9H,6-8,18H2,1-5H3,(H,19,23,25).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25102501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).