2-[2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethoxy]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one

C24H22FN5O4 — CID 67952685

IUPAC2-[2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethoxy]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one
SMILESCOc1ncc(Cc2cnc(OCCc3ccc(Oc4cccc(C)n4)c(F)c3)[nH]c2=O)cn1
InChIInChI=1S/C24H22FN5O4/c1-15-4-3-5-21(29-15)34-20-7-6-16(11-19(20)25)8-9-33-24-28-14-18(22(31)30-24)10-17-12-26-23(32-2)27-13-17/h3-7,11-14H,8-10H2,1-2H3,(H,28,30,31)
InChIKeyNVVSZLBZKIUSEM-UHFFFAOYSA-N
MW463.47 g/mol
LogP3.42
Rot. Bonds9

About 2-[2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethoxy]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one

2-[2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethoxy]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one (PubChem CID 67952685) has the molecular formula C24H22FN5O4 and a molecular weight of 463.47 g/mol. Its IUPAC name is 2-[2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethoxy]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethoxy]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one
PubChem CID67952685
Molecular FormulaC24H22FN5O4
Molecular Weight463.47 g/mol
Exact Mass463.17
IUPAC Name2-[2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethoxy]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one
SMILESCOc1ncc(Cc2cnc(OCCc3ccc(Oc4cccc(C)n4)c(F)c3)[nH]c2=O)cn1
InChIInChI=1S/C24H22FN5O4/c1-15-4-3-5-21(29-15)34-20-7-6-16(11-19(20)25)8-9-33-24-28-14-18(22(31)30-24)10-17-12-26-23(32-2)27-13-17/h3-7,11-14H,8-10H2,1-2H3,(H,28,30,31)
InChIKeyNVVSZLBZKIUSEM-UHFFFAOYSA-N
XLogP3.42
TPSA112.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethoxy]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethoxy]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one (CID 67952685) is 2-[2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethoxy]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethoxy]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethoxy]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one is COc1ncc(Cc2cnc(OCCc3ccc(Oc4cccc(C)n4)c(F)c3)[nH]c2=O)cn1.
What is the InChIKey of 2-[2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethoxy]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one?
The InChIKey is NVVSZLBZKIUSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O4/c1-15-4-3-5-21(29-15)34-20-7-6-16(11-19(20)25)8-9-33-24-28-14-18(22(31)30-24)10-17-12-26-23(32-2)27-13-17/h3-7,11-14H,8-10H2,1-2H3,(H,28,30,31).
What are the key properties of 2-[2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethoxy]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one?
2-[2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethoxy]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one has a molecular weight of 463.47 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethoxy]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 67952685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).