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

C21H19F2N3O2 — CID 135917671

IUPAC6-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CN(Cc1ccccc1OC(F)F)CC2
InChIInChI=1S/C21H19F2N3O2/c22-21(23)28-18-9-5-4-8-15(18)12-26-11-10-17-16(13-26)20(27)25-19(24-17)14-6-2-1-3-7-14/h1-9,21H,10-13H2,(H,24,25,27)
InChIKeyTYFKYZIRZLCBKC-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.60
Rot. Bonds5

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

6-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135917671) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 6-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135917671
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name6-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CN(Cc1ccccc1OC(F)F)CC2
InChIInChI=1S/C21H19F2N3O2/c22-21(23)28-18-9-5-4-8-15(18)12-26-11-10-17-16(13-26)20(27)25-19(24-17)14-6-2-1-3-7-14/h1-9,21H,10-13H2,(H,24,25,27)
InChIKeyTYFKYZIRZLCBKC-UHFFFAOYSA-N
XLogP3.60
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-[2-(Trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyrimidin-4-ol
CID 135419003
6-(Methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-4-pyrimidinol
CID 135444409
2-hydroxy-N-[(2-methoxyphenyl)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458478
2-(4-(Trifluoromethoxy)phenyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741890
6-Methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-ol
CID 135419018
5-Chloro-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-ol
CID 135470205
N-[(2-Methoxyphenyl)methyl]-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 5310426
6-Benzyl-2-[(2-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136362969
N-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 90670948
7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 90670949
2-(4-Fluorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-3,4-dihydropyrimidin-4-one
CID 91912041
2-hydroxy-N-[(2-methoxyphenyl)methyl]-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458489

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135917671) is 6-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2)nc2c1CN(Cc1ccccc1OC(F)F)CC2.
What is the InChIKey of 6-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is TYFKYZIRZLCBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c22-21(23)28-18-9-5-4-8-15(18)12-26-11-10-17-16(13-26)20(27)25-19(24-17)14-6-2-1-3-7-14/h1-9,21H,10-13H2,(H,24,25,27).
What are the key properties of 6-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 383.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135917671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).