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

C16H22N6O4 — CID 24687261

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)pyrazine-2-carboxamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)c2cnccn2)c(=O)[nH]c1=O
InChIInChI=1S/C16H22N6O4/c1-3-4-7-22-13(17)12(14(23)20-16(22)25)21(8-9-26-2)15(24)11-10-18-5-6-19-11/h5-6,10H,3-4,7-9,17H2,1-2H3,(H,20,23,25)
InChIKeyUEIPVVGQNDLVRL-UHFFFAOYSA-N
MW362.39 g/mol
LogP0.00
Rot. Bonds8

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)pyrazine-2-carboxamide (PubChem CID 24687261) has the molecular formula C16H22N6O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)pyrazine-2-carboxamide
PubChem CID24687261
Molecular FormulaC16H22N6O4
Molecular Weight362.39 g/mol
Exact Mass362.17
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)pyrazine-2-carboxamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)c2cnccn2)c(=O)[nH]c1=O
InChIInChI=1S/C16H22N6O4/c1-3-4-7-22-13(17)12(14(23)20-16(22)25)21(8-9-26-2)15(24)11-10-18-5-6-19-11/h5-6,10H,3-4,7-9,17H2,1-2H3,(H,20,23,25)
InChIKeyUEIPVVGQNDLVRL-UHFFFAOYSA-N
XLogP0.00
TPSA136.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 50.00
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)pyrazine-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)pyrazine-2-carboxamide (CID 24687261) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)pyrazine-2-carboxamide is CCCCn1c(N)c(N(CCOC)C(=O)c2cnccn2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)pyrazine-2-carboxamide?
The InChIKey is UEIPVVGQNDLVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O4/c1-3-4-7-22-13(17)12(14(23)20-16(22)25)21(8-9-26-2)15(24)11-10-18-5-6-19-11/h5-6,10H,3-4,7-9,17H2,1-2H3,(H,20,23,25).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)pyrazine-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)pyrazine-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 0.00, 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)pyrazine-2-carboxamide is sourced from PubChem (CID 24687261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).