6-[(2,6-difluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C15H15F2N3O — CID 135917287

IUPAC6-[(2,6-difluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1c(F)cccc1F)CC2
InChIInChI=1S/C15H15F2N3O/c1-9-18-14-5-6-20(8-11(14)15(21)19-9)7-10-12(16)3-2-4-13(10)17/h2-4H,5-8H2,1H3,(H,18,19,21)
InChIKeyHSGIMDREURKLQN-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.91
Rot. Bonds2

About 6-[(2,6-difluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2,6-difluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135917287) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 6-[(2,6-difluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2,6-difluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135917287
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name6-[(2,6-difluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1c(F)cccc1F)CC2
InChIInChI=1S/C15H15F2N3O/c1-9-18-14-5-6-20(8-11(14)15(21)19-9)7-10-12(16)3-2-4-13(10)17/h2-4H,5-8H2,1H3,(H,18,19,21)
InChIKeyHSGIMDREURKLQN-UHFFFAOYSA-N
XLogP1.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-difluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(2,6-difluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135917287) is 6-[(2,6-difluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2,6-difluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2,6-difluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(Cc1c(F)cccc1F)CC2.
What is the InChIKey of 6-[(2,6-difluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HSGIMDREURKLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-9-18-14-5-6-20(8-11(14)15(21)19-9)7-10-12(16)3-2-4-13(10)17/h2-4H,5-8H2,1H3,(H,18,19,21).
What are the key properties of 6-[(2,6-difluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2,6-difluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 291.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-difluorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135917287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).