N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine

C23H24FN3O — CID 91599849

IUPACN-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine
SMILESCN(CCCOc1ccc2c(c1)CCC2)c1ncc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C23H24FN3O/c1-27(12-3-13-28-22-11-8-17-4-2-5-19(17)14-22)23-25-15-20(16-26-23)18-6-9-21(24)10-7-18/h6-11,14-16H,2-5,12-13H2,1H3
InChIKeyCYSSVSZRFSNLJE-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.68
Rot. Bonds7

About N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine

N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine (PubChem CID 91599849) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine
PubChem CID91599849
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC NameN-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine
SMILESCN(CCCOc1ccc2c(c1)CCC2)c1ncc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C23H24FN3O/c1-27(12-3-13-28-22-11-8-17-4-2-5-19(17)14-22)23-25-15-20(16-26-23)18-6-9-21(24)10-7-18/h6-11,14-16H,2-5,12-13H2,1H3
InChIKeyCYSSVSZRFSNLJE-UHFFFAOYSA-N
XLogP4.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine?
The IUPAC name of N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine (CID 91599849) is N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine is CN(CCCOc1ccc2c(c1)CCC2)c1ncc(-c2ccc(F)cc2)cn1.
What is the InChIKey of N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine?
The InChIKey is CYSSVSZRFSNLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-27(12-3-13-28-22-11-8-17-4-2-5-19(17)14-22)23-25-15-20(16-26-23)18-6-9-21(24)10-7-18/h6-11,14-16H,2-5,12-13H2,1H3.
What are the key properties of N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine?
N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine has a molecular weight of 377.46 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-5-(4-fluorophenyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 91599849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).