2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide

C16H24N4O2 — CID 124801446

IUPAC2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@]12CCC[C@H]1CN(c1ncccn1)C2
InChIInChI=1S/C16H24N4O2/c1-19(2)14(21)10-22-12-16-6-3-5-13(16)9-20(11-16)15-17-7-4-8-18-15/h4,7-8,13H,3,5-6,9-12H2,1-2H3/t13-,16+/m0/s1
InChIKeyBUFZXBGHMRRHPO-XJKSGUPXSA-N
MW304.39 g/mol
LogP1.19
Rot. Bonds5

About 2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide

2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 124801446) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide
PubChem CID124801446
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@]12CCC[C@H]1CN(c1ncccn1)C2
InChIInChI=1S/C16H24N4O2/c1-19(2)14(21)10-22-12-16-6-3-5-13(16)9-20(11-16)15-17-7-4-8-18-15/h4,7-8,13H,3,5-6,9-12H2,1-2H3/t13-,16+/m0/s1
InChIKeyBUFZXBGHMRRHPO-XJKSGUPXSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-pyrimidin-2-ylmethanone
CID 97421437
2-[[(3aS,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide
CID 97421394
2-[[(3aS,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97421443
2-[[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide
CID 124805929
2-[[(3aS,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155833091
2-[[(3aS,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155850347
2-[[(3aS,6aS)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155852729
2-{4-[1-(Methoxyacetyl)-3-pyrrolidinyl]-1-piperidinyl}pyrimidine
CID 45200018
[(3aS*,6aS*)-2-{[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}hexahydrocyclopenta[c]pyrrol-3a(1H)-yl]methanol
CID 72837804
1-[4-(Hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone
CID 91921933
2-Ethoxy-1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 91921945
2-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide
CID 97420927

Frequently Asked Questions

What is the IUPAC name of 2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide (CID 124801446) is 2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COC[C@]12CCC[C@H]1CN(c1ncccn1)C2.
What is the InChIKey of 2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is BUFZXBGHMRRHPO-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19(2)14(21)10-22-12-16-6-3-5-13(16)9-20(11-16)15-17-7-4-8-18-15/h4,7-8,13H,3,5-6,9-12H2,1-2H3/t13-,16+/m0/s1.
What are the key properties of 2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide?
2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 304.39 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aR,6aR)-2-pyrimidin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 124801446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).