(Z)-5-fluoro-N-methyl-1-[1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-6-propyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine

C22H32FN3S — CID 155380068

About (Z)-5-fluoro-N-methyl-1-[1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-6-propyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine

(Z)-5-fluoro-N-methyl-1-[1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-6-propyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine (PubChem CID 155380068) has the molecular formula C22H32FN3S and a molecular weight of 389.58 g/mol. Its IUPAC name is (Z)-5-fluoro-N-methyl-1-[1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-6-propyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine.

Molecular Properties

• Compound Name: (Z)-5-fluoro-N-methyl-1-[1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-6-propyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine
• PubChem CID: 155380068
• Molecular Formula: C22H32FN3S
• Molecular Weight: 389.58 g/mol
• Exact Mass: 389.23
• IUPAC Name: (Z)-5-fluoro-N-methyl-1-[1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-6-propyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine
• SMILES: C=C(S/C=C\C)C1=NCC(C(/C=C\CC(C)F)=N/C)=C2CC(CCC)CN12
• InChI: InChI=1S/C22H32FN3S/c1-6-9-18-13-21-19(20(24-5)11-8-10-16(3)23)14-25-22(26(21)15-18)17(4)27-12-7-2/h7-8,11-12,16,18H,4,6,9-10,13-15H2,1-3,5H3/b11-8-,12-7-,24-20+
• InChIKey: RPSCFXQGAKVRHI-FUGFDONHSA-N
• XLogP: 5.93
• TPSA: 27.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.58
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-5-fluoro-N-methyl-1-[1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-6-propyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine?

The IUPAC name of (Z)-5-fluoro-N-methyl-1-[1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-6-propyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine (CID 155380068) is (Z)-5-fluoro-N-methyl-1-[1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-6-propyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine.

What is the SMILES notation for (Z)-5-fluoro-N-methyl-1-[1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-6-propyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine?

The canonical SMILES for (Z)-5-fluoro-N-methyl-1-[1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-6-propyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine is C=C(S/C=C\C)C1=NCC(C(/C=C\CC(C)F)=N/C)=C2CC(CCC)CN12.

What is the InChIKey of (Z)-5-fluoro-N-methyl-1-[1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-6-propyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine?

The InChIKey is RPSCFXQGAKVRHI-FUGFDONHSA-N. The full InChI is InChI=1S/C22H32FN3S/c1-6-9-18-13-21-19(20(24-5)11-8-10-16(3)23)14-25-22(26(21)15-18)17(4)27-12-7-2/h7-8,11-12,16,18H,4,6,9-10,13-15H2,1-3,5H3/b11-8-,12-7-,24-20+.

What are the key properties of (Z)-5-fluoro-N-methyl-1-[1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-6-propyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine?

(Z)-5-fluoro-N-methyl-1-[1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-6-propyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine has a molecular weight of 389.58 g/mol, XLogP of 5.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-5-fluoro-N-methyl-1-[1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-6-propyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine is sourced from PubChem (CID 155380068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).