6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine

C21H21FN6O — CID 59151118

IUPAC6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine
SMILESFc1cnc(C/N=C/c2ccc(Nc3ccccc3)cn2)nc1N1CCOCC1
InChIInChI=1S/C21H21FN6O/c22-19-14-25-20(27-21(19)28-8-10-29-11-9-28)15-23-12-17-6-7-18(13-24-17)26-16-4-2-1-3-5-16/h1-7,12-14,26H,8-11,15H2/b23-12+
InChIKeyXVPWKQYZIFNKEO-FSJBWODESA-N
MW392.44 g/mol
LogP3.21
Rot. Bonds6

About 6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine

6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine (PubChem CID 59151118) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine.

Molecular Properties

Compound Name6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine
PubChem CID59151118
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine
SMILESFc1cnc(C/N=C/c2ccc(Nc3ccccc3)cn2)nc1N1CCOCC1
InChIInChI=1S/C21H21FN6O/c22-19-14-25-20(27-21(19)28-8-10-29-11-9-28)15-23-12-17-6-7-18(13-24-17)26-16-4-2-1-3-5-16/h1-7,12-14,26H,8-11,15H2/b23-12+
InChIKeyXVPWKQYZIFNKEO-FSJBWODESA-N
XLogP3.21
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine?
The IUPAC name of 6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine (CID 59151118) is 6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine.
What is the SMILES notation for 6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine?
The canonical SMILES for 6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine is Fc1cnc(C/N=C/c2ccc(Nc3ccccc3)cn2)nc1N1CCOCC1.
What is the InChIKey of 6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine?
The InChIKey is XVPWKQYZIFNKEO-FSJBWODESA-N. The full InChI is InChI=1S/C21H21FN6O/c22-19-14-25-20(27-21(19)28-8-10-29-11-9-28)15-23-12-17-6-7-18(13-24-17)26-16-4-2-1-3-5-16/h1-7,12-14,26H,8-11,15H2/b23-12+.
What are the key properties of 6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine?
6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine has a molecular weight of 392.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine is sourced from PubChem (CID 59151118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).