2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide

C15H22N4O3 — CID 97475518

IUPAC2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide
SMILESCOc1cc(N2C[C@@H]3C[C@@H](CC(=O)N(C)C)O[C@@H]3C2)ncn1
InChIInChI=1S/C15H22N4O3/c1-18(2)15(20)5-11-4-10-7-19(8-12(10)22-11)13-6-14(21-3)17-9-16-13/h6,9-12H,4-5,7-8H2,1-3H3/t10-,11-,12+/m0/s1
InChIKeyLNEBCEVPFUVCEW-SDDRHHMPSA-N
MW306.37 g/mol
LogP0.56
Rot. Bonds4

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

2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide (PubChem CID 97475518) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide
PubChem CID97475518
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide
SMILESCOc1cc(N2C[C@@H]3C[C@@H](CC(=O)N(C)C)O[C@@H]3C2)ncn1
InChIInChI=1S/C15H22N4O3/c1-18(2)15(20)5-11-4-10-7-19(8-12(10)22-11)13-6-14(21-3)17-9-16-13/h6,9-12H,4-5,7-8H2,1-3H3/t10-,11-,12+/m0/s1
InChIKeyLNEBCEVPFUVCEW-SDDRHHMPSA-N
XLogP0.56
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[(3aS,4S,7aS)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 97362879
[(3aS,4R,7aS)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 97365009
(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
(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
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide (CID 97475518) is 2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide is COc1cc(N2C[C@@H]3C[C@@H](CC(=O)N(C)C)O[C@@H]3C2)ncn1.
What is the InChIKey of 2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide?
The InChIKey is LNEBCEVPFUVCEW-SDDRHHMPSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-18(2)15(20)5-11-4-10-7-19(8-12(10)22-11)13-6-14(21-3)17-9-16-13/h6,9-12H,4-5,7-8H2,1-3H3/t10-,11-,12+/m0/s1.
What are the key properties of 2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide?
2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide has a molecular weight of 306.37 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 97475518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).