2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile

C19H23FN4S — CID 155379870

IUPAC2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile
SMILESC=C(S/C=C\C)C1=NCC(C(/C=C\C)=N/C)=C2CC(F)(CC#N)CN12
InChIInChI=1S/C19H23FN4S/c1-5-7-16(22-4)15-12-23-18(14(3)25-10-6-2)24-13-19(20,8-9-21)11-17(15)24/h5-7,10H,3,8,11-13H2,1-2,4H3/b7-5-,10-6-,22-16+
InChIKeyRWNOFOQMWGBLRR-SGRKZLRRSA-N
MW358.49 g/mol
LogP4.41
Rot. Bonds6

About 2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile

2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile (PubChem CID 155379870) has the molecular formula C19H23FN4S and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile
PubChem CID155379870
Molecular FormulaC19H23FN4S
Molecular Weight358.49 g/mol
Exact Mass358.16
IUPAC Name2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile
SMILESC=C(S/C=C\C)C1=NCC(C(/C=C\C)=N/C)=C2CC(F)(CC#N)CN12
InChIInChI=1S/C19H23FN4S/c1-5-7-16(22-4)15-12-23-18(14(3)25-10-6-2)24-13-19(20,8-9-21)11-17(15)24/h5-7,10H,3,8,11-13H2,1-2,4H3/b7-5-,10-6-,22-16+
InChIKeyRWNOFOQMWGBLRR-SGRKZLRRSA-N
XLogP4.41
TPSA51.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile?
The IUPAC name of 2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile (CID 155379870) is 2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile.
What is the SMILES notation for 2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile?
The canonical SMILES for 2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile is C=C(S/C=C\C)C1=NCC(C(/C=C\C)=N/C)=C2CC(F)(CC#N)CN12.
What is the InChIKey of 2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile?
The InChIKey is RWNOFOQMWGBLRR-SGRKZLRRSA-N. The full InChI is InChI=1S/C19H23FN4S/c1-5-7-16(22-4)15-12-23-18(14(3)25-10-6-2)24-13-19(20,8-9-21)11-17(15)24/h5-7,10H,3,8,11-13H2,1-2,4H3/b7-5-,10-6-,22-16+.
What are the key properties of 2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile?
2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile has a molecular weight of 358.49 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-5,7-dihydro-3H-pyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile is sourced from PubChem (CID 155379870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).