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

C20H25FN4O2 — CID 145421018

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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