(3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide

C15H22N4O4 — CID 124789223

IUPAC(3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCOCCNC(=O)[C@@]12COC[C@@H]1CN(c1cc(OC)ncn1)C2
InChIInChI=1S/C15H22N4O4/c1-21-4-3-16-14(20)15-8-19(6-11(15)7-23-9-15)12-5-13(22-2)18-10-17-12/h5,10-11H,3-4,6-9H2,1-2H3,(H,16,20)/t11-,15-/m0/s1
InChIKeyCPAOMRWILSSLGM-NHYWBVRUSA-N
MW322.37 g/mol
LogP-0.30
Rot. Bonds6

About (3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide

(3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 124789223) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is (3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
PubChem CID124789223
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name(3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCOCCNC(=O)[C@@]12COC[C@@H]1CN(c1cc(OC)ncn1)C2
InChIInChI=1S/C15H22N4O4/c1-21-4-3-16-14(20)15-8-19(6-11(15)7-23-9-15)12-5-13(22-2)18-10-17-12/h5,10-11H,3-4,6-9H2,1-2H3,(H,16,20)/t11-,15-/m0/s1
InChIKeyCPAOMRWILSSLGM-NHYWBVRUSA-N
XLogP-0.30
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide with MolForge

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Related Compounds

N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide
CID 97476350
N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 155825939
2-[(3aS,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-pyrrolidin-1-ylethanone
CID 97475571
(3aR,6aR)-N-(2-methoxyethyl)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 97474471
N-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131661616
(2R)-N-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97422154
(3aR,6aR)-N-(cyclopropylmethyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 155832524
2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66320112
(3aR,6aR)-5-[2-(ethylamino)-2-oxoethyl]-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid
CID 154923086
N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 165431973
(3aR,6aR)-5-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 127021720
4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid
CID 66318064

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (CID 124789223) is (3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is COCCNC(=O)[C@@]12COC[C@@H]1CN(c1cc(OC)ncn1)C2.
What is the InChIKey of (3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is CPAOMRWILSSLGM-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-21-4-3-16-14(20)15-8-19(6-11(15)7-23-9-15)12-5-13(22-2)18-10-17-12/h5,10-11H,3-4,6-9H2,1-2H3,(H,16,20)/t11-,15-/m0/s1.
What are the key properties of (3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
(3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 322.37 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 124789223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).