2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one

C20H25FN4O2 — CID 145421018

IUPAC2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one
SMILESCn1c(C(C)(C)N)nc(C(NCc2ccc(F)cc2)=C2CCC2)c(O)c1=O
InChIInChI=1S/C20H25FN4O2/c1-20(2,22)19-24-16(17(26)18(27)25(19)3)15(13-5-4-6-13)23-11-12-7-9-14(21)10-8-12/h7-10,23,26H,4-6,11,22H2,1-3H3
InChIKeyTZMBDYHYIFJWPH-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.50
Rot. Bonds5

About 2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one

2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one (PubChem CID 145421018) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one
PubChem CID145421018
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one
SMILESCn1c(C(C)(C)N)nc(C(NCc2ccc(F)cc2)=C2CCC2)c(O)c1=O
InChIInChI=1S/C20H25FN4O2/c1-20(2,22)19-24-16(17(26)18(27)25(19)3)15(13-5-4-6-13)23-11-12-7-9-14(21)10-8-12/h7-10,23,26H,4-6,11,22H2,1-3H3
InChIKeyTZMBDYHYIFJWPH-UHFFFAOYSA-N
XLogP2.50
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-1-methyl-5-[(2-methylpropan-2-yl)oxy]-6-oxopyrimidine-4-carboxamide
CID 142590972
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-[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
2-[2-(dimethylsulfamoylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54737242
2-cyclopentyl-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 146000243
2-(1,5-dimethylpyrrolidin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 54677590
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[1-(2-hydroxyethoxy)cyclobutyl]-1-methyl-6-oxopyrimidine-4-carboxamide
CID 58894073
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
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
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[(2S)-5-methylpyrrolidin-2-yl]-6-oxopyrimidine-4-carboxamide
CID 54677637
N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680789

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one?
The IUPAC name of 2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one (CID 145421018) is 2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one?
The canonical SMILES for 2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one is Cn1c(C(C)(C)N)nc(C(NCc2ccc(F)cc2)=C2CCC2)c(O)c1=O.
What is the InChIKey of 2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one?
The InChIKey is TZMBDYHYIFJWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-20(2,22)19-24-16(17(26)18(27)25(19)3)15(13-5-4-6-13)23-11-12-7-9-14(21)10-8-12/h7-10,23,26H,4-6,11,22H2,1-3H3.
What are the key properties of 2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one?
2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one has a molecular weight of 372.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-6-[cyclobutylidene-[(4-fluorophenyl)methylamino]methyl]-5-hydroxy-3-methylpyrimidin-4-one is sourced from PubChem (CID 145421018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).