4-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile

C17H18FN5O2 — CID 135434870

IUPAC4-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)nc(NCCN2CCOCC2)[nH]c1=O
InChIInChI=1S/C17H18FN5O2/c18-13-3-1-12(2-4-13)15-14(11-19)16(24)22-17(21-15)20-5-6-23-7-9-25-10-8-23/h1-4H,5-10H2,(H2,20,21,22,24)
InChIKeyXEWLVCBOTYRGAR-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.19
Rot. Bonds5

About 4-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile

4-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 135434870) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID135434870
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name4-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)nc(NCCN2CCOCC2)[nH]c1=O
InChIInChI=1S/C17H18FN5O2/c18-13-3-1-12(2-4-13)15-14(11-19)16(24)22-17(21-15)20-5-6-23-7-9-25-10-8-23/h1-4H,5-10H2,(H2,20,21,22,24)
InChIKeyXEWLVCBOTYRGAR-UHFFFAOYSA-N
XLogP1.19
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_B(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile (CID 135434870) is 4-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile is N#Cc1c(-c2ccc(F)cc2)nc(NCCN2CCOCC2)[nH]c1=O.
What is the InChIKey of 4-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is XEWLVCBOTYRGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c18-13-3-1-12(2-4-13)15-14(11-19)16(24)22-17(21-15)20-5-6-23-7-9-25-10-8-23/h1-4H,5-10H2,(H2,20,21,22,24).
What are the key properties of 4-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile?
4-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 343.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(2-morpholin-4-ylethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135434870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).