N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine

C22H19FN4O — CID 97454241

IUPACN-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine
SMILESFc1ccc([C@@H](CCNc2nccc(-c3ccncc3)n2)c2ccco2)cc1
InChIInChI=1S/C22H19FN4O/c23-18-5-3-16(4-6-18)19(21-2-1-15-28-21)9-13-25-22-26-14-10-20(27-22)17-7-11-24-12-8-17/h1-8,10-12,14-15,19H,9,13H2,(H,25,26,27)/t19-/m1/s1
InChIKeyATWPBJRLNBFYTA-LJQANCHMSA-N
MW374.42 g/mol
LogP4.90
Rot. Bonds7

About N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine

N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine (PubChem CID 97454241) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine
PubChem CID97454241
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC NameN-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine
SMILESFc1ccc([C@@H](CCNc2nccc(-c3ccncc3)n2)c2ccco2)cc1
InChIInChI=1S/C22H19FN4O/c23-18-5-3-16(4-6-18)19(21-2-1-15-28-21)9-13-25-22-26-14-10-20(27-22)17-7-11-24-12-8-17/h1-8,10-12,14-15,19H,9,13H2,(H,25,26,27)/t19-/m1/s1
InChIKeyATWPBJRLNBFYTA-LJQANCHMSA-N
XLogP4.90
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine (CID 97454241) is N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine is Fc1ccc([C@@H](CCNc2nccc(-c3ccncc3)n2)c2ccco2)cc1.
What is the InChIKey of N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is ATWPBJRLNBFYTA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-18-5-3-16(4-6-18)19(21-2-1-15-28-21)9-13-25-22-26-14-10-20(27-22)17-7-11-24-12-8-17/h1-8,10-12,14-15,19H,9,13H2,(H,25,26,27)/t19-/m1/s1.
What are the key properties of N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine?
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 374.42 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 97454241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).