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

C16H17F2N3O2 — CID 135864383

IUPAC7-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1OC(F)F)C2
InChIInChI=1S/C16H17F2N3O2/c1-10-19-13-9-21(7-6-12(13)15(22)20-10)8-11-4-2-3-5-14(11)23-16(17)18/h2-5,16H,6-9H2,1H3,(H,19,20,22)
InChIKeyWHRRSZSJYVRVRT-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.24
Rot. Bonds4

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

7-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135864383) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 7-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135864383
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name7-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1OC(F)F)C2
InChIInChI=1S/C16H17F2N3O2/c1-10-19-13-9-21(7-6-12(13)15(22)20-10)8-11-4-2-3-5-14(11)23-16(17)18/h2-5,16H,6-9H2,1H3,(H,19,20,22)
InChIKeyWHRRSZSJYVRVRT-UHFFFAOYSA-N
XLogP2.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-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-(2-Difluoromethoxy-6-methoxy-phenyl)-5-dipropylamino-3-ethyl-6-methyl-3H-pyrimidin-4-one
CID 44462209
6-Methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-ol
CID 135419018
N-[(2-Methoxyphenyl)methyl]-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 5310426
2-(2,6-dimethoxyphenyl)-5-(dipropylamino)-4-methyl-1H-pyrimidin-6-one
CID 135553001
2-(4-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl)-N-(2-methoxyphenethyl)acetamide
CID 25884736
2-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)-N-(2-(trifluoromethoxy)benzyl)acetamide
CID 49675572
2-hydroxy-N-[(2-methoxyphenyl)methyl]-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458489
2-Methyl-6-[2-({2-[(2-methylprop-2-en-1-yl)oxy]benzyl}amino)ethyl]pyrimidin-4-ol
CID 136046732
5-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136059122
6-[1-(2-Fluoro-5-methoxybenzyl)-3-piperidinyl]-2-methyl-4-pyrimidinol
CID 136102769

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135864383) is 7-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1OC(F)F)C2.
What is the InChIKey of 7-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is WHRRSZSJYVRVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-10-19-13-9-21(7-6-12(13)15(22)20-10)8-11-4-2-3-5-14(11)23-16(17)18/h2-5,16H,6-9H2,1H3,(H,19,20,22).
What are the key properties of 7-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 321.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135864383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).