2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide

C16H24N4O4 — CID 97474211

IUPAC2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C[C@H]1C[C@H]2CN(c3cc(OC)ncn3)C[C@H]2O1
InChIInChI=1S/C16H24N4O4/c1-22-4-3-17-15(21)6-12-5-11-8-20(9-13(11)24-12)14-7-16(23-2)19-10-18-14/h7,10-13H,3-6,8-9H2,1-2H3,(H,17,21)/t11-,12+,13+/m0/s1
InChIKeyWREOKMIPERADPK-YNEHKIRRSA-N
MW336.39 g/mol
LogP0.23
Rot. Bonds7

About 2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide

2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 97474211) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide
PubChem CID97474211
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C[C@H]1C[C@H]2CN(c3cc(OC)ncn3)C[C@H]2O1
InChIInChI=1S/C16H24N4O4/c1-22-4-3-17-15(21)6-12-5-11-8-20(9-13(11)24-12)14-7-16(23-2)19-10-18-14/h7,10-13H,3-6,8-9H2,1-2H3,(H,17,21)/t11-,12+,13+/m0/s1
InChIKeyWREOKMIPERADPK-YNEHKIRRSA-N
XLogP0.23
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 97386284
(2S,3aS,6aS)-N-(cyclopropylmethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 97387165
(3aR,6aR)-N-(2-methoxyethyl)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 97422256
(2S,3aS,6aS)-4-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 97461053
(2S,3aS,6aS)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 97461060
(3aS,4S,7aS)-N-(2-methoxyethyl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97949913
(2R,3aS,6aS)-N-[2-(dimethylamino)ethyl]-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 97950734
2-cyclopentyl-1-[(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone
CID 95108011
2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155846469
N-(2-{[6-(Pyrrolidin-1-YL)pyrimidin-4-YL]oxy}ethyl)cyclopentanecarboxamide
CID 45542219
2-Cyclopentyl-1-(3-{[6-(dimethylamino)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)ethanone
CID 53185832
2-Cyclopentyl-1-(3-{[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)ethanone
CID 53185857

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide (CID 97474211) is 2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)C[C@H]1C[C@H]2CN(c3cc(OC)ncn3)C[C@H]2O1.
What is the InChIKey of 2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is WREOKMIPERADPK-YNEHKIRRSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-22-4-3-17-15(21)6-12-5-11-8-20(9-13(11)24-12)14-7-16(23-2)19-10-18-14/h7,10-13H,3-6,8-9H2,1-2H3,(H,17,21)/t11-,12+,13+/m0/s1.
What are the key properties of 2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide?
2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 336.39 g/mol, XLogP of 0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 97474211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).