2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide

C14H16N4O2 — CID 163213824

IUPAC2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESC[C@@]12CC[C@@](c3cn4cc(C(N)=O)cnc4n3)(CO1)C2
InChIInChI=1S/C14H16N4O2/c1-13-2-3-14(7-13,8-20-13)10-6-18-5-9(11(15)19)4-16-12(18)17-10/h4-6H,2-3,7-8H2,1H3,(H2,15,19)/t13-,14-/m0/s1
InChIKeyLFPJHMVJUXNEJY-KBPBESRZSA-N
MW272.31 g/mol
LogP1.04
Rot. Bonds2

About 2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide

2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 163213824) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID163213824
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESC[C@@]12CC[C@@](c3cn4cc(C(N)=O)cnc4n3)(CO1)C2
InChIInChI=1S/C14H16N4O2/c1-13-2-3-14(7-13,8-20-13)10-6-18-5-9(11(15)19)4-16-12(18)17-10/h4-6H,2-3,7-8H2,1H3,(H2,15,19)/t13-,14-/m0/s1
InChIKeyLFPJHMVJUXNEJY-KBPBESRZSA-N
XLogP1.04
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid
CID 155437419
phenyl 7-cyclopentyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 167420174
7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 155436898
N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 154655808
N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 164554883
8-ethoxy-N-(2-methoxy-3-pyridinyl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 155437199
N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 154655437
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 167142649
2-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1-(2-methoxy-3-pyridinyl)ethanone
CID 165109738
N-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 155437117
2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 167420223
3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid
CID 154998193

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 163213824) is 2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide is C[C@@]12CC[C@@](c3cn4cc(C(N)=O)cnc4n3)(CO1)C2.
What is the InChIKey of 2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is LFPJHMVJUXNEJY-KBPBESRZSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-13-2-3-14(7-13,8-20-13)10-6-18-5-9(11(15)19)4-16-12(18)17-10/h4-6H,2-3,7-8H2,1H3,(H2,15,19)/t13-,14-/m0/s1.
What are the key properties of 2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide?
2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 163213824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).