[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone

C21H19FN4O — CID 123963220

IUPAC[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESNc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCCC3)cc2F)cn1
InChIInChI=1S/C21H19FN4O/c22-19-11-14(7-8-17(19)15-12-24-21(23)25-13-15)16-5-1-2-6-18(16)20(27)26-9-3-4-10-26/h1-2,5-8,11-13H,3-4,9-10H2,(H2,23,24,25)
InChIKeyPICZFFQHWXUPPL-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.77
Rot. Bonds3

About [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone

[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 123963220) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID123963220
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESNc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCCC3)cc2F)cn1
InChIInChI=1S/C21H19FN4O/c22-19-11-14(7-8-17(19)15-12-24-21(23)25-13-15)16-5-1-2-6-18(16)20(27)26-9-3-4-10-26/h1-2,5-8,11-13H,3-4,9-10H2,(H2,23,24,25)
InChIKeyPICZFFQHWXUPPL-UHFFFAOYSA-N
XLogP3.77
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138711638
CID 90319937
CID 90319937
[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90313535
N-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]pyrrolidine-1-sulfinamide
CID 137396073
[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 134955966
1-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]propan-2-one
CID 123818234
3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile
CID 90313146
[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 138712237
5-[2-fluoro-4-(2-methylsulfanylphenyl)phenyl]pyrimidin-2-amine
CID 144679120
5-[2-fluoro-4-(2-methylsulfinylphenyl)phenyl]pyrimidin-2-amine
CID 137396080
2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonylacetamide
CID 90313950
2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfonyl-2-methylpropanamide
CID 90314595

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone (CID 123963220) is [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone is Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCCC3)cc2F)cn1.
What is the InChIKey of [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is PICZFFQHWXUPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-19-11-14(7-8-17(19)15-12-24-21(23)25-13-15)16-5-1-2-6-18(16)20(27)26-9-3-4-10-26/h1-2,5-8,11-13H,3-4,9-10H2,(H2,23,24,25).
What are the key properties of [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone?
[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 362.41 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 123963220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).