5-fluoro-4-(1-methylcyclopropyl)oxy-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline

C20H24FN5O2 — CID 123162262

IUPAC5-fluoro-4-(1-methylcyclopropyl)oxy-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline
SMILES[H]/N=C(\c1cc(N2CCOC(C)C2)ncn1)c1cc(OC2(C)CC2)c(F)cc1N
InChIInChI=1S/C20H24FN5O2/c1-12-10-26(5-6-27-12)18-9-16(24-11-25-18)19(23)13-7-17(14(21)8-15(13)22)28-20(2)3-4-20/h7-9,11-12,23H,3-6,10,22H2,1-2H3/b23-19-
InChIKeyDLGOSRSIPDXLRQ-NMWGTECJSA-N
MW385.44 g/mol
LogP2.77
Rot. Bonds5

About 5-fluoro-4-(1-methylcyclopropyl)oxy-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline

5-fluoro-4-(1-methylcyclopropyl)oxy-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline (PubChem CID 123162262) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 5-fluoro-4-(1-methylcyclopropyl)oxy-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline.

Molecular Properties

Compound Name5-fluoro-4-(1-methylcyclopropyl)oxy-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline
PubChem CID123162262
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name5-fluoro-4-(1-methylcyclopropyl)oxy-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline
SMILES[H]/N=C(\c1cc(N2CCOC(C)C2)ncn1)c1cc(OC2(C)CC2)c(F)cc1N
InChIInChI=1S/C20H24FN5O2/c1-12-10-26(5-6-27-12)18-9-16(24-11-25-18)19(23)13-7-17(14(21)8-15(13)22)28-20(2)3-4-20/h7-9,11-12,23H,3-6,10,22H2,1-2H3/b23-19-
InChIKeyDLGOSRSIPDXLRQ-NMWGTECJSA-N
XLogP2.77
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1-methylcyclopropyl)oxy-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline?
The IUPAC name of 5-fluoro-4-(1-methylcyclopropyl)oxy-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline (CID 123162262) is 5-fluoro-4-(1-methylcyclopropyl)oxy-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline.
What is the SMILES notation for 5-fluoro-4-(1-methylcyclopropyl)oxy-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline?
The canonical SMILES for 5-fluoro-4-(1-methylcyclopropyl)oxy-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline is [H]/N=C(\c1cc(N2CCOC(C)C2)ncn1)c1cc(OC2(C)CC2)c(F)cc1N.
What is the InChIKey of 5-fluoro-4-(1-methylcyclopropyl)oxy-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline?
The InChIKey is DLGOSRSIPDXLRQ-NMWGTECJSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-12-10-26(5-6-27-12)18-9-16(24-11-25-18)19(23)13-7-17(14(21)8-15(13)22)28-20(2)3-4-20/h7-9,11-12,23H,3-6,10,22H2,1-2H3/b23-19-.
What are the key properties of 5-fluoro-4-(1-methylcyclopropyl)oxy-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline?
5-fluoro-4-(1-methylcyclopropyl)oxy-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline has a molecular weight of 385.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1-methylcyclopropyl)oxy-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline is sourced from PubChem (CID 123162262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).