4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one

C14H15F2N3O2 — CID 11254902

IUPAC4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one
SMILESCCN(C)c1nc(Oc2c(F)cccc2F)c(C)c(=O)[nH]1
InChIInChI=1S/C14H15F2N3O2/c1-4-19(3)14-17-12(20)8(2)13(18-14)21-11-9(15)6-5-7-10(11)16/h5-7H,4H2,1-3H3,(H,17,18,20)
InChIKeyWPHOIFCTODVSLP-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.60
Rot. Bonds4

About 4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one

4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one (PubChem CID 11254902) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one
PubChem CID11254902
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one
SMILESCCN(C)c1nc(Oc2c(F)cccc2F)c(C)c(=O)[nH]1
InChIInChI=1S/C14H15F2N3O2/c1-4-19(3)14-17-12(20)8(2)13(18-14)21-11-9(15)6-5-7-10(11)16/h5-7H,4H2,1-3H3,(H,17,18,20)
InChIKeyWPHOIFCTODVSLP-UHFFFAOYSA-N
XLogP2.60
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one (CID 11254902) is 4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one is CCN(C)c1nc(Oc2c(F)cccc2F)c(C)c(=O)[nH]1.
What is the InChIKey of 4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one?
The InChIKey is WPHOIFCTODVSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-4-19(3)14-17-12(20)8(2)13(18-14)21-11-9(15)6-5-7-10(11)16/h5-7H,4H2,1-3H3,(H,17,18,20).
What are the key properties of 4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one?
4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one has a molecular weight of 295.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenoxy)-2-[ethyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 11254902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).