N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide

C15H21N3O3 — CID 133267242

IUPACN-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCOC[C@H]1[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@H]2CCO[C@H]21
InChIInChI=1S/C15H21N3O3/c1-8-6-12(17-9(2)16-8)15(19)18-13-10-4-5-21-14(10)11(13)7-20-3/h6,10-11,13-14H,4-5,7H2,1-3H3,(H,18,19)/t10-,11+,13+,14-/m1/s1
InChIKeyFREYAHWBPWOFKB-UVLXDEKHSA-N
MW291.35 g/mol
LogP0.87
Rot. Bonds4

About N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide

N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 133267242) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID133267242
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCOC[C@H]1[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@H]2CCO[C@H]21
InChIInChI=1S/C15H21N3O3/c1-8-6-12(17-9(2)16-8)15(19)18-13-10-4-5-21-14(10)11(13)7-20-3/h6,10-11,13-14H,4-5,7H2,1-3H3,(H,18,19)/t10-,11+,13+,14-/m1/s1
InChIKeyFREYAHWBPWOFKB-UVLXDEKHSA-N
XLogP0.87
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91842908
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methyl-1,3-benzothiazole-5-carboxamide
CID 91795946
2-hydroxy-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylbenzamide
CID 91765257
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-oxo-1,2-oxazole-5-carboxamide
CID 133266446
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-propan-2-ylthiophene-3-carboxamide
CID 91768372
N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 133268868
3-cyano-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91761164
1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 91760552
N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylbenzamide
CID 133267195
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 133267885
5-ethyl-N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]thiophene-2-carboxamide
CID 91759619
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 133267370

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide (CID 133267242) is N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide is COC[C@H]1[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@H]2CCO[C@H]21.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is FREYAHWBPWOFKB-UVLXDEKHSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-8-6-12(17-9(2)16-8)15(19)18-13-10-4-5-21-14(10)11(13)7-20-3/h6,10-11,13-14H,4-5,7H2,1-3H3,(H,18,19)/t10-,11+,13+,14-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide?
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 133267242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).