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

C14H20N4O3 — CID 134689298

IUPAC2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C[C@@H]2CN(c3cc(OC)ncn3)C[C@H]2O1
InChIInChI=1S/C14H20N4O3/c1-15-13(19)4-10-3-9-6-18(7-11(9)21-10)12-5-14(20-2)17-8-16-12/h5,8-11H,3-4,6-7H2,1-2H3,(H,15,19)/t9-,10-,11-/m1/s1
InChIKeyHWUOXVOYWOZYCW-GMTAPVOTSA-N
MW292.34 g/mol
LogP0.22
Rot. Bonds4

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

2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide (PubChem CID 134689298) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
PubChem CID134689298
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C[C@@H]2CN(c3cc(OC)ncn3)C[C@H]2O1
InChIInChI=1S/C14H20N4O3/c1-15-13(19)4-10-3-9-6-18(7-11(9)21-10)12-5-14(20-2)17-8-16-12/h5,8-11H,3-4,6-7H2,1-2H3,(H,15,19)/t9-,10-,11-/m1/s1
InChIKeyHWUOXVOYWOZYCW-GMTAPVOTSA-N
XLogP0.22
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide with MolForge

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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
(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-[(3aS,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide
CID 97475160
(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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide (CID 134689298) is 2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide is CNC(=O)C[C@H]1C[C@@H]2CN(c3cc(OC)ncn3)C[C@H]2O1.
What is the InChIKey of 2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide?
The InChIKey is HWUOXVOYWOZYCW-GMTAPVOTSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-15-13(19)4-10-3-9-6-18(7-11(9)21-10)12-5-14(20-2)17-8-16-12/h5,8-11H,3-4,6-7H2,1-2H3,(H,15,19)/t9-,10-,11-/m1/s1.
What are the key properties of 2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide?
2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide has a molecular weight of 292.34 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide is sourced from PubChem (CID 134689298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).