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

C17H24N6O4 — CID 16550140

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)c2cnc(C)cn2)c(=O)[nH]c1=O
InChIInChI=1S/C17H24N6O4/c1-4-5-6-23-14(18)13(15(24)21-17(23)26)22(7-8-27-3)16(25)12-10-19-11(2)9-20-12/h9-10H,4-8,18H2,1-3H3,(H,21,24,26)
InChIKeyWXLCDWQUFQGKQW-UHFFFAOYSA-N
MW376.42 g/mol
LogP0.31
Rot. Bonds8

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide (PubChem CID 16550140) has the molecular formula C17H24N6O4 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide
PubChem CID16550140
Molecular FormulaC17H24N6O4
Molecular Weight376.42 g/mol
Exact Mass376.19
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)c2cnc(C)cn2)c(=O)[nH]c1=O
InChIInChI=1S/C17H24N6O4/c1-4-5-6-23-14(18)13(15(24)21-17(23)26)22(7-8-27-3)16(25)12-10-19-11(2)9-20-12/h9-10H,4-8,18H2,1-3H3,(H,21,24,26)
InChIKeyWXLCDWQUFQGKQW-UHFFFAOYSA-N
XLogP0.31
TPSA136.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 50.31
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)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide (CID 16550140) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide is CCCCn1c(N)c(N(CCOC)C(=O)c2cnc(C)cn2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is WXLCDWQUFQGKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O4/c1-4-5-6-23-14(18)13(15(24)21-17(23)26)22(7-8-27-3)16(25)12-10-19-11(2)9-20-12/h9-10H,4-8,18H2,1-3H3,(H,21,24,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 0.31, 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)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 16550140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).