N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide

C20H17F2N3O2 — CID 90346975

IUPACN-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C20H17F2N3O2/c1-2-17-23-11-16(19(26)24-17)20(27)25-18(12-3-7-14(21)8-4-12)13-5-9-15(22)10-6-13/h3-11,18H,2H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyDODQUMRZNYWKMZ-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.13
Rot. Bonds5

About N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 90346975) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID90346975
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC NameN-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C20H17F2N3O2/c1-2-17-23-11-16(19(26)24-17)20(27)25-18(12-3-7-14(21)8-4-12)13-5-9-15(22)10-6-13/h3-11,18H,2H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyDODQUMRZNYWKMZ-UHFFFAOYSA-N
XLogP3.13
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 90346975) is N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide is CCc1ncc(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is DODQUMRZNYWKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-2-17-23-11-16(19(26)24-17)20(27)25-18(12-3-7-14(21)8-4-12)13-5-9-15(22)10-6-13/h3-11,18H,2H2,1H3,(H,25,27)(H,23,24,26).
What are the key properties of N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 90346975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).