2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol

C19H24FN3O2S — CID 70965914

IUPAC2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol
SMILESCOCc1nc(CC2CCN(c3ccc(F)cc3)CC2)nc(SC)c1O
InChIInChI=1S/C19H24FN3O2S/c1-25-12-16-18(24)19(26-2)22-17(21-16)11-13-7-9-23(10-8-13)15-5-3-14(20)4-6-15/h3-6,13,24H,7-12H2,1-2H3
InChIKeyBZHGNBXENZZAEJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.65
Rot. Bonds6

About 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol

2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol (PubChem CID 70965914) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol
PubChem CID70965914
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol
SMILESCOCc1nc(CC2CCN(c3ccc(F)cc3)CC2)nc(SC)c1O
InChIInChI=1S/C19H24FN3O2S/c1-25-12-16-18(24)19(26-2)22-17(21-16)11-13-7-9-23(10-8-13)15-5-3-14(20)4-6-15/h3-6,13,24H,7-12H2,1-2H3
InChIKeyBZHGNBXENZZAEJ-UHFFFAOYSA-N
XLogP3.65
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol?
The IUPAC name of 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol (CID 70965914) is 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol?
The canonical SMILES for 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol is COCc1nc(CC2CCN(c3ccc(F)cc3)CC2)nc(SC)c1O.
What is the InChIKey of 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol?
The InChIKey is BZHGNBXENZZAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-25-12-16-18(24)19(26-2)22-17(21-16)11-13-7-9-23(10-8-13)15-5-3-14(20)4-6-15/h3-6,13,24H,7-12H2,1-2H3.
What are the key properties of 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol?
2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol has a molecular weight of 377.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylsulfanylpyrimidin-5-ol is sourced from PubChem (CID 70965914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).