tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal

C103H114N18O21 — CID 158027160

About tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal

tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal (PubChem CID 158027160) has the molecular formula C103H114N18O21 and a molecular weight of 1940.15 g/mol. Its IUPAC name is tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal.

Molecular Properties

• Compound Name: tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal
• PubChem CID: 158027160
• Molecular Formula: C103H114N18O21
• Molecular Weight: 1940.15 g/mol
• Exact Mass: 1938.84
• IUPAC Name: tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal
• SMILES: CC(=O)Cc1ccc(-c2ccc(CCC=O)o2)cc1.CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(CCC=O)o3)cn2)CC1.CN(C)c1cnc(-c2ccc(CCC=O)o2)cn1.COC(=O)Nc1ncc(-c2ccc(CCC=O)o2)cn1.O=CCCc1ccc(-c2cnc(=O)[nH]c2)o1.O=CCCc1ccc(-c2cnc(N3CCCC3)nc2)o1.O=CCCc1ccc(-c2cnc(N3CCOCC3)nc2)o1
• InChI: InChI=1S/C20H26N4O4.C16H16O3.C15H17N3O3.C15H17N3O2.C13H13N3O4.C13H15N3O2.C11H10N2O3/c1-20(2,3)28-19(26)24-10-8-23(9-11-24)18-21-13-15(14-22-18)17-7-6-16(27-17)5-4-12-25;1-12(18)11-13-4-6-14(7-5-13)16-9-8-15(19-16)3-2-10-17;19-7-1-2-13-3-4-14(21-13)12-10-16-15(17-11-12)18-5-8-20-9-6-18;19-9-3-4-13-5-6-14(20-13)12-10-16-15(17-11-12)18-7-1-2-8-18;1-19-13(18)16-12-14-7-9(8-15-12)11-5-4-10(20-11)3-2-6-17;1-16(2)13-9-14-11(8-15-13)12-6-5-10(18-12)4-3-7-17;14-5-1-2-9-3-4-10(16-9)8-6-12-11(15)13-7-8/h6-7,12-14H,4-5,8-11H2,1-3H3;4-10H,2-3,11H2,1H3;3-4,7,10-11H,1-2,5-6,8-9H2;5-6,9-11H,1-4,7-8H2;4-8H,2-3H2,1H3,(H,14,15,16,18);5-9H,3-4H2,1-2H3;3-7H,1-2H2,(H,12,13,15)
• InChIKey: FGSVSRQZJPKOJC-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 493.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 35
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1940.15
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal?

The IUPAC name of tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal (CID 158027160) is tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal.

What is the SMILES notation for tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal?

The canonical SMILES for tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal is CC(=O)Cc1ccc(-c2ccc(CCC=O)o2)cc1.CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(CCC=O)o3)cn2)CC1.CN(C)c1cnc(-c2ccc(CCC=O)o2)cn1.COC(=O)Nc1ncc(-c2ccc(CCC=O)o2)cn1.O=CCCc1ccc(-c2cnc(=O)[nH]c2)o1.O=CCCc1ccc(-c2cnc(N3CCCC3)nc2)o1.O=CCCc1ccc(-c2cnc(N3CCOCC3)nc2)o1.

What is the InChIKey of tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal?

The InChIKey is FGSVSRQZJPKOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4.C16H16O3.C15H17N3O3.C15H17N3O2.C13H13N3O4.C13H15N3O2.C11H10N2O3/c1-20(2,3)28-19(26)24-10-8-23(9-11-24)18-21-13-15(14-22-18)17-7-6-16(27-17)5-4-12-25;1-12(18)11-13-4-6-14(7-5-13)16-9-8-15(19-16)3-2-10-17;19-7-1-2-13-3-4-14(21-13)12-10-16-15(17-11-12)18-5-8-20-9-6-18;19-9-3-4-13-5-6-14(20-13)12-10-16-15(17-11-12)18-7-1-2-8-18;1-19-13(18)16-12-14-7-9(8-15-12)11-5-4-10(20-11)3-2-6-17;1-16(2)13-9-14-11(8-15-13)12-6-5-10(18-12)4-3-7-17;14-5-1-2-9-3-4-10(16-9)8-6-12-11(15)13-7-8/h6-7,12-14H,4-5,8-11H2,1-3H3;4-10H,2-3,11H2,1H3;3-4,7,10-11H,1-2,5-6,8-9H2;5-6,9-11H,1-4,7-8H2;4-8H,2-3H2,1H3,(H,14,15,16,18);5-9H,3-4H2,1-2H3;3-7H,1-2H2,(H,12,13,15).

What are the key properties of tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal?

tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal has a molecular weight of 1940.15 g/mol, XLogP of 15.45, 35 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate;3-[5-[5-(dimethylamino)pyrazin-2-yl]furan-2-yl]propanal;methyl N-[5-[5-(3-oxopropyl)furan-2-yl]pyrimidin-2-yl]carbamate;3-[5-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-yl]propanal;3-[5-[4-(2-oxopropyl)phenyl]furan-2-yl]propanal;3-[5-(2-oxo-1H-pyrimidin-5-yl)furan-2-yl]propanal;3-[5-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-yl]propanal is sourced from PubChem (CID 158027160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).