N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide

C17H25N5O4 — CID 24982677

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O
InChIInChI=1S/C17H25N5O4/c1-5-8-9-22-14(18)13(15(23)19-17(22)25)21(7-3)16(24)12-10(4)26-20-11(12)6-2/h5-9,18H2,1-4H3,(H,19,23,25)
InChIKeyUMRASAWKKJSJPA-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.44
Rot. Bonds7

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 24982677) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID24982677
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O
InChIInChI=1S/C17H25N5O4/c1-5-8-9-22-14(18)13(15(23)19-17(22)25)21(7-3)16(24)12-10(4)26-20-11(12)6-2/h5-9,18H2,1-4H3,(H,19,23,25)
InChIKeyUMRASAWKKJSJPA-UHFFFAOYSA-N
XLogP1.44
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 24982677) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide is CCCCn1c(N)c(N(CC)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UMRASAWKKJSJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-5-8-9-22-14(18)13(15(23)19-17(22)25)21(7-3)16(24)12-10(4)26-20-11(12)6-2/h5-9,18H2,1-4H3,(H,19,23,25).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24982677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).