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

C14H15F2N3O — CID 135846074

IUPAC4-[(2,6-difluorophenyl)methyl]-2-[ethyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCCN(C)c1nc(Cc2c(F)cccc2F)cc(=O)[nH]1
InChIInChI=1S/C14H15F2N3O/c1-3-19(2)14-17-9(8-13(20)18-14)7-10-11(15)5-4-6-12(10)16/h4-6,8H,3,7H2,1-2H3,(H,17,18,20)
InChIKeyQHJLHQYHSSLNEN-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.10
Rot. Bonds4

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

4-[(2,6-difluorophenyl)methyl]-2-[ethyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 135846074) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-2-[ethyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-2-[ethyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID135846074
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name4-[(2,6-difluorophenyl)methyl]-2-[ethyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCCN(C)c1nc(Cc2c(F)cccc2F)cc(=O)[nH]1
InChIInChI=1S/C14H15F2N3O/c1-3-19(2)14-17-9(8-13(20)18-14)7-10-11(15)5-4-6-12(10)16/h4-6,8H,3,7H2,1-2H3,(H,17,18,20)
InChIKeyQHJLHQYHSSLNEN-UHFFFAOYSA-N
XLogP2.10
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 135402830
2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
CID 135402831
2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one
CID 135402832
2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one
CID 135402833
6-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-4-one
CID 135406941
4(3H)-Pyrimidinone, 6-[1-(2,6-difluorophenyl)ethyl]-2-(ethylmethylamino)-5-methyl-
CID 135454796
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
6-[(2,6-Difluorophenyl)methyl]-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one
CID 135402777
4-[(2,6-difluorophenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 135434830
2-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
4-[1-(2,6-difluorophenyl)ethyl]-2-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 135846089
4-[1-(2,6-difluorophenyl)ethyl]-2-[isopropyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one
CID 135846095

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2-[ethyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2-[ethyl(methyl)amino]-1H-pyrimidin-6-one (CID 135846074) is 4-[(2,6-difluorophenyl)methyl]-2-[ethyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-2-[ethyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-2-[ethyl(methyl)amino]-1H-pyrimidin-6-one is CCN(C)c1nc(Cc2c(F)cccc2F)cc(=O)[nH]1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-2-[ethyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is QHJLHQYHSSLNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-3-19(2)14-17-9(8-13(20)18-14)7-10-11(15)5-4-6-12(10)16/h4-6,8H,3,7H2,1-2H3,(H,17,18,20).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-2-[ethyl(methyl)amino]-1H-pyrimidin-6-one?
4-[(2,6-difluorophenyl)methyl]-2-[ethyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 279.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]-2-[ethyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135846074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).