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

C19H26FN3O2 — CID 123546608

IUPACN-ethyl-6-(4-fluorophenyl)-2-oxo-N,4-di(propan-2-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCN(C(=O)C1C(C(C)C)=NC(=O)NC1c1ccc(F)cc1)C(C)C
InChIInChI=1S/C19H26FN3O2/c1-6-23(12(4)5)18(24)15-16(11(2)3)21-19(25)22-17(15)13-7-9-14(20)10-8-13/h7-12,15,17H,6H2,1-5H3,(H,22,25)
InChIKeyVKTGTBKRCQUXER-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.56
Rot. Bonds5

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

N-ethyl-6-(4-fluorophenyl)-2-oxo-N,4-di(propan-2-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 123546608) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-ethyl-6-(4-fluorophenyl)-2-oxo-N,4-di(propan-2-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(4-fluorophenyl)-2-oxo-N,4-di(propan-2-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID123546608
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-ethyl-6-(4-fluorophenyl)-2-oxo-N,4-di(propan-2-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCN(C(=O)C1C(C(C)C)=NC(=O)NC1c1ccc(F)cc1)C(C)C
InChIInChI=1S/C19H26FN3O2/c1-6-23(12(4)5)18(24)15-16(11(2)3)21-19(25)22-17(15)13-7-9-14(20)10-8-13/h7-12,15,17H,6H2,1-5H3,(H,22,25)
InChIKeyVKTGTBKRCQUXER-UHFFFAOYSA-N
XLogP3.56
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide
CID 4786488
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CID 16745555
3-acetamido-N-cyclohexyl-3-phenylpropanamide
CID 5015111
2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide
CID 6835511
N-Cyclohexylmethyl-2,2-dimethyl-3-methylamino-3-phenyl-propionamide
CID 44366432
[(1R)-1-[[3-(cyclohexanecarbonylamino)-3-(3-fluorophenyl)propanoyl]amino]-3-methylbutyl]boronic acid
CID 49855772
3-acetamido-3-phenyl-N-(2-phenylethyl)propanamide
CID 24241248
3-benzyl-6-pentyldihydropyrimidine-2,4(1H,3H)-dione
CID 3241737
(4R,5S,6R)-5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 16759656
5-[(2,4-Difluorophenyl)methyl]-4-phenyl-1,5-diazacycloundecan-2-one
CID 110202207
Piperidine-1,3-dicarboxylic acid 1-cyclohexylamide 3-(2-fluoro-benzylamide)
CID 644811
1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 4651696

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-fluorophenyl)-2-oxo-N,4-di(propan-2-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-6-(4-fluorophenyl)-2-oxo-N,4-di(propan-2-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide (CID 123546608) is N-ethyl-6-(4-fluorophenyl)-2-oxo-N,4-di(propan-2-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-6-(4-fluorophenyl)-2-oxo-N,4-di(propan-2-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-6-(4-fluorophenyl)-2-oxo-N,4-di(propan-2-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide is CCN(C(=O)C1C(C(C)C)=NC(=O)NC1c1ccc(F)cc1)C(C)C.
What is the InChIKey of N-ethyl-6-(4-fluorophenyl)-2-oxo-N,4-di(propan-2-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is VKTGTBKRCQUXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-6-23(12(4)5)18(24)15-16(11(2)3)21-19(25)22-17(15)13-7-9-14(20)10-8-13/h7-12,15,17H,6H2,1-5H3,(H,22,25).
What are the key properties of N-ethyl-6-(4-fluorophenyl)-2-oxo-N,4-di(propan-2-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide?
N-ethyl-6-(4-fluorophenyl)-2-oxo-N,4-di(propan-2-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-fluorophenyl)-2-oxo-N,4-di(propan-2-yl)-5,6-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 123546608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).