5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine

C20H25FN6O2 — CID 129106591

IUPAC5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1cc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc1N1CCOCC1
InChIInChI=1S/C20H25FN6O2/c1-15-12-16(2-3-18(15)26-4-8-28-9-5-26)13-23-25-20-22-14-17(21)19(24-20)27-6-10-29-11-7-27/h2-3,12-14H,4-11H2,1H3,(H,22,24,25)/b23-13-
InChIKeyCETJUOFXKCHAJA-QRVIBDJDSA-N
MW400.46 g/mol
LogP2.04
Rot. Bonds5

About 5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine

5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 129106591) has the molecular formula C20H25FN6O2 and a molecular weight of 400.46 g/mol. Its IUPAC name is 5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID129106591
Molecular FormulaC20H25FN6O2
Molecular Weight400.46 g/mol
Exact Mass400.20
IUPAC Name5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1cc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc1N1CCOCC1
InChIInChI=1S/C20H25FN6O2/c1-15-12-16(2-3-18(15)26-4-8-28-9-5-26)13-23-25-20-22-14-17(21)19(24-20)27-6-10-29-11-7-27/h2-3,12-14H,4-11H2,1H3,(H,22,24,25)/b23-13-
InChIKeyCETJUOFXKCHAJA-QRVIBDJDSA-N
XLogP2.04
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine (CID 129106591) is 5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine is Cc1cc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc1N1CCOCC1.
What is the InChIKey of 5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is CETJUOFXKCHAJA-QRVIBDJDSA-N. The full InChI is InChI=1S/C20H25FN6O2/c1-15-12-16(2-3-18(15)26-4-8-28-9-5-26)13-23-25-20-22-14-17(21)19(24-20)27-6-10-29-11-7-27/h2-3,12-14H,4-11H2,1H3,(H,22,24,25)/b23-13-.
What are the key properties of 5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?
5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 400.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(Z)-(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 129106591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).