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

C19H26FN3S — CID 155379919

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

(Z)-5-fluoro-1-[6-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine (PubChem CID 155379919) has the molecular formula C19H26FN3S and a molecular weight of 347.50 g/mol. Its IUPAC name is (Z)-5-fluoro-1-[6-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine.

Molecular Properties

• Compound Name: (Z)-5-fluoro-1-[6-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine
• PubChem CID: 155379919
• Molecular Formula: C19H26FN3S
• Molecular Weight: 347.50 g/mol
• Exact Mass: 347.18
• IUPAC Name: (Z)-5-fluoro-1-[6-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine
• SMILES: [H]/N=C(\C=C/CC(C)F)C1=C2CC(C)CN2C(C(=C)S/C=C\C)=NC1
• InChI: InChI=1S/C19H26FN3S/c1-5-9-24-15(4)19-22-11-16(17(21)8-6-7-14(3)20)18-10-13(2)12-23(18)19/h5-6,8-9,13-14,21H,4,7,10-12H2,1-3H3/b8-6-,9-5-,21-17+
• InChIKey: YVUJABVPSNBEOY-LJNFHRCKSA-N
• XLogP: 5.10
• TPSA: 39.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	347.50
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
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-1-[6-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine?

The IUPAC name of (Z)-5-fluoro-1-[6-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine (CID 155379919) is (Z)-5-fluoro-1-[6-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-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-1-[6-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine?

The canonical SMILES for (Z)-5-fluoro-1-[6-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine is [H]/N=C(\C=C/CC(C)F)C1=C2CC(C)CN2C(C(=C)S/C=C\C)=NC1.

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

The InChIKey is YVUJABVPSNBEOY-LJNFHRCKSA-N. The full InChI is InChI=1S/C19H26FN3S/c1-5-9-24-15(4)19-22-11-16(17(21)8-6-7-14(3)20)18-10-13(2)12-23(18)19/h5-6,8-9,13-14,21H,4,7,10-12H2,1-3H3/b8-6-,9-5-,21-17+.

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

(Z)-5-fluoro-1-[6-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine has a molecular weight of 347.50 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-5-fluoro-1-[6-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]hex-2-en-1-imine is sourced from PubChem (CID 155379919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).