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

C17H24N6O3 — CID 24687524

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2cnccn2)c(=O)[nH]c1=O
InChIInChI=1S/C17H24N6O3/c1-4-5-8-22-14(18)13(15(24)21-17(22)26)23(10-11(2)3)16(25)12-9-19-6-7-20-12/h6-7,9,11H,4-5,8,10,18H2,1-3H3,(H,21,24,26)
InChIKeyUTIPZNRRGHCXBA-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.01
Rot. Bonds7

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide (PubChem CID 24687524) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide
PubChem CID24687524
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2cnccn2)c(=O)[nH]c1=O
InChIInChI=1S/C17H24N6O3/c1-4-5-8-22-14(18)13(15(24)21-17(22)26)23(10-11(2)3)16(25)12-9-19-6-7-20-12/h6-7,9,11H,4-5,8,10,18H2,1-3H3,(H,21,24,26)
InChIKeyUTIPZNRRGHCXBA-UHFFFAOYSA-N
XLogP1.01
TPSA126.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.01
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-(2-methylpropyl)pyrazine-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide (CID 24687524) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide is CCCCn1c(N)c(N(CC(C)C)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-methylpropyl)pyrazine-2-carboxamide?
The InChIKey is UTIPZNRRGHCXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-4-5-8-22-14(18)13(15(24)21-17(22)26)23(10-11(2)3)16(25)12-9-19-6-7-20-12/h6-7,9,11H,4-5,8,10,18H2,1-3H3,(H,21,24,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 1.01, 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-(2-methylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 24687524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).