[(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone

C16H21N3O3 — CID 97485267

IUPAC[(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1
InChIInChI=1S/C16H21N3O3/c20-15(14-17-4-1-5-18-14)19-6-13-8-22-11-16(13,9-19)10-21-7-12-2-3-12/h1,4-5,12-13H,2-3,6-11H2/t13-,16-/m1/s1
InChIKeyXLGNGBIOBUCEMU-CZUORRHYSA-N
MW303.36 g/mol
LogP0.99
Rot. Bonds5

About [(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone

[(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone (PubChem CID 97485267) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is [(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone
PubChem CID97485267
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name[(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1
InChIInChI=1S/C16H21N3O3/c20-15(14-17-4-1-5-18-14)19-6-13-8-22-11-16(13,9-19)10-21-7-12-2-3-12/h1,4-5,12-13H,2-3,6-11H2/t13-,16-/m1/s1
InChIKeyXLGNGBIOBUCEMU-CZUORRHYSA-N
XLogP0.99
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone with MolForge

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Related Compounds

N-[[(3aS,6aR)-5-(pyrimidine-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 97420589
N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide
CID 97420647
[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-pyrimidin-2-ylmethanone
CID 97421437
[(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone
CID 97422357
[(3aR,6aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone
CID 97423222
2-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide
CID 97420927
[(3aS,6aR)-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone
CID 97421023
2-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97421036
N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide
CID 97476893
[(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone
CID 97482931
[(3aS,6aS)-3a-(cyclopropylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-pyrimidin-2-ylmethanone
CID 97484578
(5-methylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(pyrimidin-2-yl)methanone
CID 121185264

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone (CID 97485267) is [(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone is O=C(c1ncccn1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1.
What is the InChIKey of [(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone?
The InChIKey is XLGNGBIOBUCEMU-CZUORRHYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15(14-17-4-1-5-18-14)19-6-13-8-22-11-16(13,9-19)10-21-7-12-2-3-12/h1,4-5,12-13H,2-3,6-11H2/t13-,16-/m1/s1.
What are the key properties of [(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone?
[(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone has a molecular weight of 303.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 97485267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).