4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one

C23H24F2N4O2 — CID 135846114

IUPAC4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1N1CCN(c2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)CC1
InChIInChI=1S/C23H24F2N4O2/c1-15-19(14-16-17(24)6-5-7-18(16)25)26-23(27-22(15)30)29-12-10-28(11-13-29)20-8-3-4-9-21(20)31-2/h3-9H,10-14H2,1-2H3,(H,26,27,30)
InChIKeyWWRCDNYKZMOZEX-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.28
Rot. Bonds5

About 4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one

4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one (PubChem CID 135846114) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one
PubChem CID135846114
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1N1CCN(c2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)CC1
InChIInChI=1S/C23H24F2N4O2/c1-15-19(14-16-17(24)6-5-7-18(16)25)26-23(27-22(15)30)29-12-10-28(11-13-29)20-8-3-4-9-21(20)31-2/h3-9H,10-14H2,1-2H3,(H,26,27,30)
InChIKeyWWRCDNYKZMOZEX-UHFFFAOYSA-N
XLogP3.28
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one (CID 135846114) is 4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one is COc1ccccc1N1CCN(c2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)CC1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one?
The InChIKey is WWRCDNYKZMOZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-15-19(14-16-17(24)6-5-7-18(16)25)26-23(27-22(15)30)29-12-10-28(11-13-29)20-8-3-4-9-21(20)31-2/h3-9H,10-14H2,1-2H3,(H,26,27,30).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one?
4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one has a molecular weight of 426.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135846114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).