(4-fluoro-2-methyl-5-propan-2-yloxyphenyl)-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine

C20H25FN4O2 — CID 90400102

IUPAC(4-fluoro-2-methyl-5-propan-2-yloxyphenyl)-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
SMILES[H]/N=C(\c1cc(N2CCO[C@@H](C)C2)ncn1)c1cc(OC(C)C)c(F)cc1C
InChIInChI=1S/C20H25FN4O2/c1-12(2)27-18-8-15(13(3)7-16(18)21)20(22)17-9-19(24-11-23-17)25-5-6-26-14(4)10-25/h7-9,11-12,14,22H,5-6,10H2,1-4H3/b22-20-/t14-/m0/s1
InChIKeyLUVQZZDSPREELF-CEGCDYRFSA-N
MW372.44 g/mol
LogP3.35
Rot. Bonds5

About (4-fluoro-2-methyl-5-propan-2-yloxyphenyl)-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine

(4-fluoro-2-methyl-5-propan-2-yloxyphenyl)-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine (PubChem CID 90400102) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is (4-fluoro-2-methyl-5-propan-2-yloxyphenyl)-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine.

Molecular Properties

Compound Name(4-fluoro-2-methyl-5-propan-2-yloxyphenyl)-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
PubChem CID90400102
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name(4-fluoro-2-methyl-5-propan-2-yloxyphenyl)-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
SMILES[H]/N=C(\c1cc(N2CCO[C@@H](C)C2)ncn1)c1cc(OC(C)C)c(F)cc1C
InChIInChI=1S/C20H25FN4O2/c1-12(2)27-18-8-15(13(3)7-16(18)21)20(22)17-9-19(24-11-23-17)25-5-6-26-14(4)10-25/h7-9,11-12,14,22H,5-6,10H2,1-4H3/b22-20-/t14-/m0/s1
InChIKeyLUVQZZDSPREELF-CEGCDYRFSA-N
XLogP3.35
TPSA71.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (4-fluoro-2-methyl-5-propan-2-yloxyphenyl)-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine?
The IUPAC name of (4-fluoro-2-methyl-5-propan-2-yloxyphenyl)-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine (CID 90400102) is (4-fluoro-2-methyl-5-propan-2-yloxyphenyl)-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine.
What is the SMILES notation for (4-fluoro-2-methyl-5-propan-2-yloxyphenyl)-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine?
The canonical SMILES for (4-fluoro-2-methyl-5-propan-2-yloxyphenyl)-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine is [H]/N=C(\c1cc(N2CCO[C@@H](C)C2)ncn1)c1cc(OC(C)C)c(F)cc1C.
What is the InChIKey of (4-fluoro-2-methyl-5-propan-2-yloxyphenyl)-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine?
The InChIKey is LUVQZZDSPREELF-CEGCDYRFSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-12(2)27-18-8-15(13(3)7-16(18)21)20(22)17-9-19(24-11-23-17)25-5-6-26-14(4)10-25/h7-9,11-12,14,22H,5-6,10H2,1-4H3/b22-20-/t14-/m0/s1.
What are the key properties of (4-fluoro-2-methyl-5-propan-2-yloxyphenyl)-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine?
(4-fluoro-2-methyl-5-propan-2-yloxyphenyl)-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine has a molecular weight of 372.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methyl-5-propan-2-yloxyphenyl)-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine is sourced from PubChem (CID 90400102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).