N,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide

C18H22FN3O2 — CID 53307904

IUPACN,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1c(-c2ccc(F)cc2)nc(=O)[nH]c1C(C)C
InChIInChI=1S/C18H22FN3O2/c1-5-22(6-2)17(23)14-15(11(3)4)20-18(24)21-16(14)12-7-9-13(19)10-8-12/h7-11H,5-6H2,1-4H3,(H,20,21,24)
InChIKeyTXTLFQAZAPQVNN-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.18
Rot. Bonds5

About N,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide

N,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 53307904) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID53307904
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1c(-c2ccc(F)cc2)nc(=O)[nH]c1C(C)C
InChIInChI=1S/C18H22FN3O2/c1-5-22(6-2)17(23)14-15(11(3)4)20-18(24)21-16(14)12-7-9-13(19)10-8-12/h7-11H,5-6H2,1-4H3,(H,20,21,24)
InChIKeyTXTLFQAZAPQVNN-UHFFFAOYSA-N
XLogP3.18
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 53307904) is N,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide is CCN(CC)C(=O)c1c(-c2ccc(F)cc2)nc(=O)[nH]c1C(C)C.
What is the InChIKey of N,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is TXTLFQAZAPQVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-5-22(6-2)17(23)14-15(11(3)4)20-18(24)21-16(14)12-7-9-13(19)10-8-12/h7-11H,5-6H2,1-4H3,(H,20,21,24).
What are the key properties of N,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide?
N,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 53307904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).