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

C17H25N5O5 — CID 18206720

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)c2c(C)noc2C)c(=O)[nH]c1=O
InChIInChI=1S/C17H25N5O5/c1-5-6-7-22-14(18)13(15(23)19-17(22)25)21(8-9-26-4)16(24)12-10(2)20-27-11(12)3/h5-9,18H2,1-4H3,(H,19,23,25)
InChIKeyIUTPSLVSGGETFB-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.82
Rot. Bonds8

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 18206720) has the molecular formula C17H25N5O5 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID18206720
Molecular FormulaC17H25N5O5
Molecular Weight379.42 g/mol
Exact Mass379.19
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)c2c(C)noc2C)c(=O)[nH]c1=O
InChIInChI=1S/C17H25N5O5/c1-5-6-7-22-14(18)13(15(23)19-17(22)25)21(8-9-26-4)16(24)12-10(2)20-27-11(12)3/h5-9,18H2,1-4H3,(H,19,23,25)
InChIKeyIUTPSLVSGGETFB-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 18206720) is N-(6-amino-1-butyl-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-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCCCn1c(N)c(N(CCOC)C(=O)c2c(C)noc2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is IUTPSLVSGGETFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O5/c1-5-6-7-22-14(18)13(15(23)19-17(22)25)21(8-9-26-4)16(24)12-10(2)20-27-11(12)3/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-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(6-amino-1-butyl-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 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 18206720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).