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

C9H13N3O3 — CID 110849279

IUPACN-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-6-11-5-7(9(14)12-6)8(13)10-3-4-15-2/h5H,3-4H2,1-2H3,(H,10,13)(H,11,12,14)
InChIKeyLSBZDPMEHNVISC-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.55
Rot. Bonds4

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

N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110849279) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110849279
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-6-11-5-7(9(14)12-6)8(13)10-3-4-15-2/h5H,3-4H2,1-2H3,(H,10,13)(H,11,12,14)
InChIKeyLSBZDPMEHNVISC-UHFFFAOYSA-N
XLogP-0.55
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.55
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

5-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103477020
2-(Methoxymethyl)-5-methylpyrimidin-4(3H)-one
CID 71351742
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291
2-amino-N,1-bis(2-methoxyethyl)-6-oxopyrimidine-5-carboxamide
CID 142343954
2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 144556016
2-formyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 145549732
2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one
CID 151093895
5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 167558743
N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627023
N,2-dimethyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 50989028
5-Iodo-3-[3-(2-methoxyethylamino)propyl]-2-methylpyrimidin-4-one
CID 66342064
N-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]formamide
CID 71758624

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 110849279) is N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is COCCNC(=O)c1cnc(C)[nH]c1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LSBZDPMEHNVISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-11-5-7(9(14)12-6)8(13)10-3-4-15-2/h5H,3-4H2,1-2H3,(H,10,13)(H,11,12,14).
What are the key properties of N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110849279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).