[(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone

C17H24N4O4 — CID 155902077

IUPAC[(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(N2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)CC[C@H]32)ncn1
InChIInChI=1S/C17H24N4O4/c1-23-16-10-15(18-11-19-16)21-5-4-13-12(21)2-3-14(25-13)17(22)20-6-8-24-9-7-20/h10-14H,2-9H2,1H3/t12-,13-,14-/m1/s1
InChIKeyNAMXDFVIRRSLGZ-MGPQQGTHSA-N
MW348.40 g/mol
LogP0.47
Rot. Bonds3

About [(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone

[(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone (PubChem CID 155902077) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is [(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
PubChem CID155902077
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name[(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(N2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)CC[C@H]32)ncn1
InChIInChI=1S/C17H24N4O4/c1-23-16-10-15(18-11-19-16)21-5-4-13-12(21)2-3-14(25-13)17(22)20-6-8-24-9-7-20/h10-14H,2-9H2,1H3/t12-,13-,14-/m1/s1
InChIKeyNAMXDFVIRRSLGZ-MGPQQGTHSA-N
XLogP0.47
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone (CID 155902077) is [(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone is COc1cc(N2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)CC[C@H]32)ncn1.
What is the InChIKey of [(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is NAMXDFVIRRSLGZ-MGPQQGTHSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-23-16-10-15(18-11-19-16)21-5-4-13-12(21)2-3-14(25-13)17(22)20-6-8-24-9-7-20/h10-14H,2-9H2,1H3/t12-,13-,14-/m1/s1.
What are the key properties of [(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone?
[(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 348.40 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155902077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).