N-[4-(4-fluorophenyl)butan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

C19H24FN3O2 — CID 46972133

IUPACN-[4-(4-fluorophenyl)butan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(C)CCc2ccc(F)cc2)nc(=O)[nH]1
InChIInChI=1S/C19H24FN3O2/c1-12(2)10-16-11-17(23-19(25)22-16)18(24)21-13(3)4-5-14-6-8-15(20)9-7-14/h6-9,11-13H,4-5,10H2,1-3H3,(H,21,24)(H,22,23,25)
InChIKeyYYTCHZBJGOUAQT-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.86
Rot. Bonds7

About N-[4-(4-fluorophenyl)butan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

N-[4-(4-fluorophenyl)butan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 46972133) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)butan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)butan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID46972133
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC NameN-[4-(4-fluorophenyl)butan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(C)CCc2ccc(F)cc2)nc(=O)[nH]1
InChIInChI=1S/C19H24FN3O2/c1-12(2)10-16-11-17(23-19(25)22-16)18(24)21-13(3)4-5-14-6-8-15(20)9-7-14/h6-9,11-13H,4-5,10H2,1-3H3,(H,21,24)(H,22,23,25)
InChIKeyYYTCHZBJGOUAQT-UHFFFAOYSA-N
XLogP2.86
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)butan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)butan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (CID 46972133) is N-[4-(4-fluorophenyl)butan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)butan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)butan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)NC(C)CCc2ccc(F)cc2)nc(=O)[nH]1.
What is the InChIKey of N-[4-(4-fluorophenyl)butan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is YYTCHZBJGOUAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-12(2)10-16-11-17(23-19(25)22-16)18(24)21-13(3)4-5-14-6-8-15(20)9-7-14/h6-9,11-13H,4-5,10H2,1-3H3,(H,21,24)(H,22,23,25).
What are the key properties of N-[4-(4-fluorophenyl)butan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
N-[4-(4-fluorophenyl)butan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)butan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 46972133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).