1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine

C19H24FN5 — CID 178156462

IUPAC1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine
SMILESC=C1N=C(c2ccc(F)cc2)C=C(N2CCC(N)C2)N1/N=C\CCC
InChIInChI=1S/C19H24FN5/c1-3-4-10-22-25-14(2)23-18(15-5-7-16(20)8-6-15)12-19(25)24-11-9-17(21)13-24/h5-8,10,12,17H,2-4,9,11,13,21H2,1H3/b22-10-
InChIKeyCNJORULJFGAMNK-YVNNLAQVSA-N
MW341.43 g/mol
LogP3.06
Rot. Bonds5

About 1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine

1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine (PubChem CID 178156462) has the molecular formula C19H24FN5 and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine
PubChem CID178156462
Molecular FormulaC19H24FN5
Molecular Weight341.43 g/mol
Exact Mass341.20
IUPAC Name1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine
SMILESC=C1N=C(c2ccc(F)cc2)C=C(N2CCC(N)C2)N1/N=C\CCC
InChIInChI=1S/C19H24FN5/c1-3-4-10-22-25-14(2)23-18(15-5-7-16(20)8-6-15)12-19(25)24-11-9-17(21)13-24/h5-8,10,12,17H,2-4,9,11,13,21H2,1H3/b22-10-
InChIKeyCNJORULJFGAMNK-YVNNLAQVSA-N
XLogP3.06
TPSA57.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine 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 1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine (CID 178156462) is 1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine is C=C1N=C(c2ccc(F)cc2)C=C(N2CCC(N)C2)N1/N=C\CCC.
What is the InChIKey of 1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine?
The InChIKey is CNJORULJFGAMNK-YVNNLAQVSA-N. The full InChI is InChI=1S/C19H24FN5/c1-3-4-10-22-25-14(2)23-18(15-5-7-16(20)8-6-15)12-19(25)24-11-9-17(21)13-24/h5-8,10,12,17H,2-4,9,11,13,21H2,1H3/b22-10-.
What are the key properties of 1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine?
1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine has a molecular weight of 341.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(Z)-butylideneamino]-6-(4-fluorophenyl)-2-methylidenepyrimidin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 178156462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).