2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide

C36H42F2N6O7 — CID 158295423

IUPAC2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1nc(C(=O)CCc2ccc(F)cc2)c(O)c(=O)n1C.Cn1c(C(C)(C)N)nc(C(=O)CCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C19H22FN3O4.C17H20FN3O3/c1-11(24)22-19(2,3)18-21-15(16(26)17(27)23(18)4)14(25)10-7-12-5-8-13(20)9-6-12;1-17(2,19)16-20-13(14(23)15(24)21(16)3)12(22)9-6-10-4-7-11(18)8-5-10/h5-6,8-9,26H,7,10H2,1-4H3,(H,22,24);4-5,7-8,23H,6,9,19H2,1-3H3
InChIKeyGLVSSILBKIOOPO-UHFFFAOYSA-N
MW708.76 g/mol
LogP3.45
Rot. Bonds11

About 2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide

2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide (PubChem CID 158295423) has the molecular formula C36H42F2N6O7 and a molecular weight of 708.76 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide
PubChem CID158295423
Molecular FormulaC36H42F2N6O7
Molecular Weight708.76 g/mol
Exact Mass708.31
IUPAC Name2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1nc(C(=O)CCc2ccc(F)cc2)c(O)c(=O)n1C.Cn1c(C(C)(C)N)nc(C(=O)CCc2ccc(F)cc2)c(O)c1=O
InChIInChI=1S/C19H22FN3O4.C17H20FN3O3/c1-11(24)22-19(2,3)18-21-15(16(26)17(27)23(18)4)14(25)10-7-12-5-8-13(20)9-6-12;1-17(2,19)16-20-13(14(23)15(24)21(16)3)12(22)9-6-10-4-7-11(18)8-5-10/h5-6,8-9,26H,7,10H2,1-4H3,(H,22,24);4-5,7-8,23H,6,9,19H2,1-3H3
InChIKeyGLVSSILBKIOOPO-UHFFFAOYSA-N
XLogP3.45
TPSA199.50 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.76
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide with MolForge

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Related Compounds

2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide;N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-(methylamino)propan-2-yl]-6-oxopyrimidine-4-carboxamide;methane
CID 158326909
2-(2-benzamidopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 122610194
2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one
CID 145421018
2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-8,9-dimethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
CID 58476882
2-[2-(dimethylsulfamoylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54737242
2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-1-methyl-5-[(2-methylpropan-2-yl)oxy]-6-oxopyrimidine-4-carboxamide
CID 142590972
potassium;N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate
CID 158098232
methyl 5-hydroxy-1-methyl-6-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]pyrimidine-4-carboxylate
CID 54690598
2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-(4-methylpiperazin-1-yl)-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 158459916
N-[1,1,1,3,3,3-hexadeuterio-2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-(trideuteriomethyl)-1,3,4-oxadiazole-2-carboxamide
CID 54749256
ethyl N-[2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidin-9-yl]carbamate
CID 58101034
2-[2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-8-yl]-N,N-dimethyl-2-oxoacetamide
CID 58476832

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide?
The IUPAC name of 2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide (CID 158295423) is 2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide?
The canonical SMILES for 2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1nc(C(=O)CCc2ccc(F)cc2)c(O)c(=O)n1C.Cn1c(C(C)(C)N)nc(C(=O)CCc2ccc(F)cc2)c(O)c1=O.
What is the InChIKey of 2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide?
The InChIKey is GLVSSILBKIOOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4.C17H20FN3O3/c1-11(24)22-19(2,3)18-21-15(16(26)17(27)23(18)4)14(25)10-7-12-5-8-13(20)9-6-12;1-17(2,19)16-20-13(14(23)15(24)21(16)3)12(22)9-6-10-4-7-11(18)8-5-10/h5-6,8-9,26H,7,10H2,1-4H3,(H,22,24);4-5,7-8,23H,6,9,19H2,1-3H3.
What are the key properties of 2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide?
2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide has a molecular weight of 708.76 g/mol, XLogP of 3.45, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-6-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-3-methylpyrimidin-4-one;N-[2-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]acetamide is sourced from PubChem (CID 158295423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).