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

C21H19FN4O2 — CID 90314181

IUPAC[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-morpholin-4-ylmethanone
SMILESNc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCOCC3)cc2F)cn1
InChIInChI=1S/C21H19FN4O2/c22-19-11-14(5-6-17(19)15-12-24-21(23)25-13-15)16-3-1-2-4-18(16)20(27)26-7-9-28-10-8-26/h1-6,11-13H,7-10H2,(H2,23,24,25)
InChIKeyUYLDIHWDDYETNR-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.00
Rot. Bonds3

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

[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 90314181) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-morpholin-4-ylmethanone
PubChem CID90314181
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-morpholin-4-ylmethanone
SMILESNc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCOCC3)cc2F)cn1
InChIInChI=1S/C21H19FN4O2/c22-19-11-14(5-6-17(19)15-12-24-21(23)25-13-15)16-3-1-2-4-18(16)20(27)26-7-9-28-10-8-26/h1-6,11-13H,7-10H2,(H2,23,24,25)
InChIKeyUYLDIHWDDYETNR-UHFFFAOYSA-N
XLogP3.00
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-morpholin-4-ylmethanone (CID 90314181) is [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-morpholin-4-ylmethanone is Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCOCC3)cc2F)cn1.
What is the InChIKey of [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is UYLDIHWDDYETNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-19-11-14(5-6-17(19)15-12-24-21(23)25-13-15)16-3-1-2-4-18(16)20(27)26-7-9-28-10-8-26/h1-6,11-13H,7-10H2,(H2,23,24,25).
What are the key properties of [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-morpholin-4-ylmethanone?
[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 378.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 90314181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).