N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide

C8H11N3O3 — CID 110849278

IUPACN-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-14-3-2-10-7(12)6-4-9-5-11-8(6)13/h4-5H,2-3H2,1H3,(H,10,12)(H,9,11,13)
InChIKeyZODAELQSCYBEFO-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.85
Rot. Bonds4

About N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide

N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110849278) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110849278
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-14-3-2-10-7(12)6-4-9-5-11-8(6)13/h4-5H,2-3H2,1H3,(H,10,12)(H,9,11,13)
InChIKeyZODAELQSCYBEFO-UHFFFAOYSA-N
XLogP-0.85
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoroethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 133667150
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080912
2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide
CID 142343954
3-[3-(2-Methoxyethylamino)propyl]pyrimidin-4-one
CID 63768489
5-Iodo-3-[3-(2-methoxyethylamino)propyl]pyrimidin-4-one
CID 66309945
4-Hydroxy-N,N-bis(2-methoxyethyl)-2-methylpyrimidine-5-carboxamide
CID 72897875
2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74241342
5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 82503148
N-(5-morpholin-4-ylpentyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91775144
6-oxo-N-propyl-1H-pyrimidine-5-carboxamide
CID 95916097
5-(aminomethyl)-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 104189973

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 110849278) is N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide is COCCNC(=O)c1cnc[nH]c1=O.
What is the InChIKey of N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ZODAELQSCYBEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-14-3-2-10-7(12)6-4-9-5-11-8(6)13/h4-5H,2-3H2,1H3,(H,10,12)(H,9,11,13).
What are the key properties of N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 197.19 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110849278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).