5-fluoro-4-methyl-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one

C21H22FN3O — CID 135873067

IUPAC5-fluoro-4-methyl-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(CN(C)CCc3ccccc3)cc2)[nH]c(=O)c1F
InChIInChI=1S/C21H22FN3O/c1-15-19(22)21(26)24-20(23-15)18-10-8-17(9-11-18)14-25(2)13-12-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,23,24,26)
InChIKeyQKIMIRXMZIPIHJ-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.56
Rot. Bonds6

About 5-fluoro-4-methyl-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one

5-fluoro-4-methyl-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one (PubChem CID 135873067) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one
PubChem CID135873067
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name5-fluoro-4-methyl-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(CN(C)CCc3ccccc3)cc2)[nH]c(=O)c1F
InChIInChI=1S/C21H22FN3O/c1-15-19(22)21(26)24-20(23-15)18-10-8-17(9-11-18)14-25(2)13-12-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,23,24,26)
InChIKeyQKIMIRXMZIPIHJ-UHFFFAOYSA-N
XLogP3.56
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
6-Methyl-2-(4-(trifluoromethyl)phenyl)pyrimidin-4-ol
CID 135435537
N-[(4-carbamimidoylphenyl)methyl]-2-{5-chloro-6-methyl-2-oxo-3-[(2-phenylethyl)amino]-1,2-dihydropyrazin-1-yl}acetamide
CID 10917410
N-[(4-carbamimidoylphenyl)methyl]-2-{5-chloro-6-ethyl-2-oxo-3-[(2-phenylethyl)amino]-1,2-dihydropyrazin-1-yl}acetamide
CID 10972679
N-(4-Carbamimidoyl-benzyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 10273521
(5Z)-5-(4-fluorobenzylidene)-2-(4-methylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 135517621
2-[4-(dimethylaminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-pyrimidine-4-carboxamide
CID 135446285
N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-2-(p-tolyl)pyrimidine-4-carboxamide
CID 135446350
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
4-Hydroxy-2,6-diphenyl-5-pyrimidinecarbonitrile
CID 135409737
2-Phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 135578165
6-Methyl-5-(2-methylprop-2-en-1-yl)-2-phenylpyrimidin-4-ol
CID 135449249

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-methyl-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one (CID 135873067) is 5-fluoro-4-methyl-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-methyl-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-methyl-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one is Cc1nc(-c2ccc(CN(C)CCc3ccccc3)cc2)[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-4-methyl-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one?
The InChIKey is QKIMIRXMZIPIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-15-19(22)21(26)24-20(23-15)18-10-8-17(9-11-18)14-25(2)13-12-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,23,24,26).
What are the key properties of 5-fluoro-4-methyl-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one?
5-fluoro-4-methyl-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one has a molecular weight of 351.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135873067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).