3-[(4-fluorophenyl)methyl]-6-[2-(2-hydroxyphenyl)ethyl-methylamino]-1H-pyrimidine-2,4-dione

C20H20FN3O3 — CID 167910273

IUPAC3-[(4-fluorophenyl)methyl]-6-[2-(2-hydroxyphenyl)ethyl-methylamino]-1H-pyrimidine-2,4-dione
SMILESCN(CCc1ccccc1O)c1cc(=O)n(Cc2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C20H20FN3O3/c1-23(11-10-15-4-2-3-5-17(15)25)18-12-19(26)24(20(27)22-18)13-14-6-8-16(21)9-7-14/h2-9,12,25H,10-11,13H2,1H3,(H,22,27)
InChIKeyWSGOTCIYLKNQFJ-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.11
Rot. Bonds6

About 3-[(4-fluorophenyl)methyl]-6-[2-(2-hydroxyphenyl)ethyl-methylamino]-1H-pyrimidine-2,4-dione

3-[(4-fluorophenyl)methyl]-6-[2-(2-hydroxyphenyl)ethyl-methylamino]-1H-pyrimidine-2,4-dione (PubChem CID 167910273) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-6-[2-(2-hydroxyphenyl)ethyl-methylamino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-6-[2-(2-hydroxyphenyl)ethyl-methylamino]-1H-pyrimidine-2,4-dione
PubChem CID167910273
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name3-[(4-fluorophenyl)methyl]-6-[2-(2-hydroxyphenyl)ethyl-methylamino]-1H-pyrimidine-2,4-dione
SMILESCN(CCc1ccccc1O)c1cc(=O)n(Cc2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C20H20FN3O3/c1-23(11-10-15-4-2-3-5-17(15)25)18-12-19(26)24(20(27)22-18)13-14-6-8-16(21)9-7-14/h2-9,12,25H,10-11,13H2,1H3,(H,22,27)
InChIKeyWSGOTCIYLKNQFJ-UHFFFAOYSA-N
XLogP2.11
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-6-[2-(2-hydroxyphenyl)ethyl-methylamino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-6-[2-(2-hydroxyphenyl)ethyl-methylamino]-1H-pyrimidine-2,4-dione (CID 167910273) is 3-[(4-fluorophenyl)methyl]-6-[2-(2-hydroxyphenyl)ethyl-methylamino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-6-[2-(2-hydroxyphenyl)ethyl-methylamino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-6-[2-(2-hydroxyphenyl)ethyl-methylamino]-1H-pyrimidine-2,4-dione is CN(CCc1ccccc1O)c1cc(=O)n(Cc2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-6-[2-(2-hydroxyphenyl)ethyl-methylamino]-1H-pyrimidine-2,4-dione?
The InChIKey is WSGOTCIYLKNQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-23(11-10-15-4-2-3-5-17(15)25)18-12-19(26)24(20(27)22-18)13-14-6-8-16(21)9-7-14/h2-9,12,25H,10-11,13H2,1H3,(H,22,27).
What are the key properties of 3-[(4-fluorophenyl)methyl]-6-[2-(2-hydroxyphenyl)ethyl-methylamino]-1H-pyrimidine-2,4-dione?
3-[(4-fluorophenyl)methyl]-6-[2-(2-hydroxyphenyl)ethyl-methylamino]-1H-pyrimidine-2,4-dione has a molecular weight of 369.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-6-[2-(2-hydroxyphenyl)ethyl-methylamino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 167910273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).