N-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide

C13H18N4O3 — CID 175667340

IUPACN-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide
SMILESCON(C)C(=O)c1ncc(N2C3CCC2COC3)cn1
InChIInChI=1S/C13H18N4O3/c1-16(19-2)13(18)12-14-5-11(6-15-12)17-9-3-4-10(17)8-20-7-9/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyVBKCWZAIJBYWPP-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.48
Rot. Bonds3

About N-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide

N-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide (PubChem CID 175667340) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide
PubChem CID175667340
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide
SMILESCON(C)C(=O)c1ncc(N2C3CCC2COC3)cn1
InChIInChI=1S/C13H18N4O3/c1-16(19-2)13(18)12-14-5-11(6-15-12)17-9-3-4-10(17)8-20-7-9/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyVBKCWZAIJBYWPP-UHFFFAOYSA-N
XLogP0.48
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine
CID 121374351
1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid
CID 166981646
8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane
CID 134341649
N-methoxy-N-methyl-3-oxocyclopentene-1-carboxamide
CID 53404826
N-methoxy-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
CID 46737966
N-methoxy-N,2-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 24813504
N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide
CID 66335744
5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide
CID 63850514
5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3-dihydroisoindole-2-carboxylic acid
CID 141260054
N,N-diethylethanamine;N-methoxy-N,5-dimethylpyrazine-2-carboxamide
CID 158794501
N-methoxy-N,5,6-trimethylpyridine-3-carboxamide
CID 130211578
5-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 59108636

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide?
The IUPAC name of N-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide (CID 175667340) is N-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide is CON(C)C(=O)c1ncc(N2C3CCC2COC3)cn1.
What is the InChIKey of N-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide?
The InChIKey is VBKCWZAIJBYWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-16(19-2)13(18)12-14-5-11(6-15-12)17-9-3-4-10(17)8-20-7-9/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide?
N-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidine-2-carboxamide is sourced from PubChem (CID 175667340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).