[(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone

C19H26N4O2 — CID 97392711

IUPAC[(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone
SMILESCN(C)c1nccc([C@@H]2C[C@@H]3CCN(C(=O)C4=CCCC4)C[C@H]3O2)n1
InChIInChI=1S/C19H26N4O2/c1-22(2)19-20-9-7-15(21-19)16-11-14-8-10-23(12-17(14)25-16)18(24)13-5-3-4-6-13/h5,7,9,14,16-17H,3-4,6,8,10-12H2,1-2H3/t14-,16-,17+/m0/s1
InChIKeyRQBDIHIBCZRILH-BHYGNILZSA-N
MW342.44 g/mol
LogP2.33
Rot. Bonds3

About [(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone

[(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone (PubChem CID 97392711) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone.

Molecular Properties

Compound Name[(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone
PubChem CID97392711
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone
SMILESCN(C)c1nccc([C@@H]2C[C@@H]3CCN(C(=O)C4=CCCC4)C[C@H]3O2)n1
InChIInChI=1S/C19H26N4O2/c1-22(2)19-20-9-7-15(21-19)16-11-14-8-10-23(12-17(14)25-16)18(24)13-5-3-4-6-13/h5,7,9,14,16-17H,3-4,6,8,10-12H2,1-2H3/t14-,16-,17+/m0/s1
InChIKeyRQBDIHIBCZRILH-BHYGNILZSA-N
XLogP2.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128995208
[(2S,3aS,7aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone
CID 97392726
1-[(2S,3aR,7aR)-2-(2-methylpyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(dimethylamino)ethanone
CID 124811056
1-[(2R,3aR,7aR)-2-(2-methylpyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(dimethylamino)ethanone
CID 133142454
[(2R,3aS,7aS)-2-(2-methylpyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridazin-4-ylmethanone
CID 97369574
[(2R,3aR,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(cyclopenten-1-yl)methanone
CID 125207293
4-[(2S,3aS,7aS)-6-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-N,N-dimethylpyrimidin-2-amine
CID 97369782
[(2R,3aR,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(cyclohexen-1-yl)methanone
CID 125206545
[(2S,3aS,7aS)-2-pyrimidin-4-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridazin-4-ylmethanone
CID 97369736
1-[(2S,3aR,7aR)-2-(2-methylpyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-thiophen-2-ylethanone
CID 124801970
1-[(2S,3aS,7aS)-2-(2-methylpyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-thiophen-3-ylethanone
CID 97369768
(3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128964934

Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone?
The IUPAC name of [(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone (CID 97392711) is [(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone.
What is the SMILES notation for [(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone?
The canonical SMILES for [(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone is CN(C)c1nccc([C@@H]2C[C@@H]3CCN(C(=O)C4=CCCC4)C[C@H]3O2)n1.
What is the InChIKey of [(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone?
The InChIKey is RQBDIHIBCZRILH-BHYGNILZSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(2)19-20-9-7-15(21-19)16-11-14-8-10-23(12-17(14)25-16)18(24)13-5-3-4-6-13/h5,7,9,14,16-17H,3-4,6,8,10-12H2,1-2H3/t14-,16-,17+/m0/s1.
What are the key properties of [(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone?
[(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,7aS)-2-[2-(dimethylamino)pyrimidin-4-yl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(cyclopenten-1-yl)methanone is sourced from PubChem (CID 97392711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).