N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide

C17H25N5O5 — CID 25161893

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O
InChIInChI=1S/C17H25N5O5/c1-5-7-22-14(18)13(15(23)19-17(22)25)21(8-9-26-4)16(24)12-10(3)27-20-11(12)6-2/h5-9,18H2,1-4H3,(H,19,23,25)
InChIKeyODFKPTXEIQGQQS-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.68
Rot. Bonds8

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 25161893) has the molecular formula C17H25N5O5 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID25161893
Molecular FormulaC17H25N5O5
Molecular Weight379.42 g/mol
Exact Mass379.19
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O
InChIInChI=1S/C17H25N5O5/c1-5-7-22-14(18)13(15(23)19-17(22)25)21(8-9-26-4)16(24)12-10(3)27-20-11(12)6-2/h5-9,18H2,1-4H3,(H,19,23,25)
InChIKeyODFKPTXEIQGQQS-UHFFFAOYSA-N
XLogP0.68
TPSA136.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 25161893) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide is CCCn1c(N)c(N(CCOC)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is ODFKPTXEIQGQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O5/c1-5-7-22-14(18)13(15(23)19-17(22)25)21(8-9-26-4)16(24)12-10(3)27-20-11(12)6-2/h5-9,18H2,1-4H3,(H,19,23,25).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25161893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).