2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide

C11H18N4O4 — CID 142343954

IUPAC2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(N)n(CCOC)c1=O
InChIInChI=1S/C11H18N4O4/c1-18-5-3-13-9(16)8-7-14-11(12)15(10(8)17)4-6-19-2/h7H,3-6H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyNPJSNIBUQMVUBD-UHFFFAOYSA-N
MW270.29 g/mol
LogP-1.15
Rot. Bonds7

About 2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide

2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide (PubChem CID 142343954) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide
PubChem CID142343954
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(N)n(CCOC)c1=O
InChIInChI=1S/C11H18N4O4/c1-18-5-3-13-9(16)8-7-14-11(12)15(10(8)17)4-6-19-2/h7H,3-6H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyNPJSNIBUQMVUBD-UHFFFAOYSA-N
XLogP-1.15
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide (CID 142343954) is 2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide is COCCNC(=O)c1cnc(N)n(CCOC)c1=O.
What is the InChIKey of 2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide?
The InChIKey is NPJSNIBUQMVUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-18-5-3-13-9(16)8-7-14-11(12)15(10(8)17)4-6-19-2/h7H,3-6H2,1-2H3,(H2,12,14)(H,13,16).
What are the key properties of 2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide?
2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide has a molecular weight of 270.29 g/mol, XLogP of -1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 142343954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).