N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide

C8H11N3O3 — CID 141080912

IUPACN-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
SMILESCOCNC(=O)c1cncn(C)c1=O
InChIInChI=1S/C8H11N3O3/c1-11-4-9-3-6(8(11)13)7(12)10-5-14-2/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyGVUNNYLFVOKCMT-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.89
Rot. Bonds3

About N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide

N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide (PubChem CID 141080912) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
PubChem CID141080912
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
SMILESCOCNC(=O)c1cncn(C)c1=O
InChIInChI=1S/C8H11N3O3/c1-11-4-9-3-6(8(11)13)7(12)10-5-14-2/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyGVUNNYLFVOKCMT-UHFFFAOYSA-N
XLogP-0.89
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,4-Dihydro-4-oxo-5-pyrimidinecarboxamide
CID 817685
3,5-dimethyl-1H-pyrimidin-3-ium-6-one
CID 21021531
1-Methyl-6-oxopyrimidine-5-carboxamide
CID 141080907
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
N,1-dimethyl-6-oxopyrimidine-5-carboxamide
CID 141080909
N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080911
N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080913
1-Ethyl-6-oxopyrimidine-5-carboxamide
CID 155723614
tert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate
CID 22308429
5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 82651173
5-(aminomethyl)-2-methoxy-1H-pyrimidin-6-one
CID 83851771
5-(Aminomethyl)-3-methylpyrimidin-4-one
CID 83872299

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide (CID 141080912) is N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide is COCNC(=O)c1cncn(C)c1=O.
What is the InChIKey of N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is GVUNNYLFVOKCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-11-4-9-3-6(8(11)13)7(12)10-5-14-2/h3-4H,5H2,1-2H3,(H,10,12).
What are the key properties of N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide?
N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 197.19 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 141080912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).