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

C15H14F3N3O2 — CID 135919107

IUPAC6-[(3-hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C(F)(F)F)nc2c1CN(Cc1cccc(O)c1)CC2
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)14-19-12-4-5-21(8-11(12)13(23)20-14)7-9-2-1-3-10(22)6-9/h1-3,6,22H,4-5,7-8H2,(H,19,20,23)
InChIKeyBLAIWRHIBPVUTJ-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.05
Rot. Bonds2

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

6-[(3-hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135919107) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 6-[(3-hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3-hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135919107
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name6-[(3-hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C(F)(F)F)nc2c1CN(Cc1cccc(O)c1)CC2
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)14-19-12-4-5-21(8-11(12)13(23)20-14)7-9-2-1-3-10(22)6-9/h1-3,6,22H,4-5,7-8H2,(H,19,20,23)
InChIKeyBLAIWRHIBPVUTJ-UHFFFAOYSA-N
XLogP2.05
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Hydroxyphenyl)-3,4-dihydropyrimidin-4-one
CID 43654653
2-(2-Fluoro-3-hydroxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)-4(3H)-pyrimidinone
CID 16749720
5-Ethyl-2-(2-fluoro-3-hydroxyphenyl)-3-[2-(3-fluorophenyl)ethyl]-6-methylpyrimidin-4-one
CID 16749745
5-Ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(3-hydroxyphenyl)-6-methylpyrimidin-4-one
CID 57705164
3-benzhydryl-6-[(4-fluoro-3-hydroxyphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 145503284
3-benzhydryl-6-[(2-fluoro-3-hydroxyphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 145503657
2-(3-fluoro-5-hydroxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113522043
5-ethyl-2-(3-fluoro-5-hydroxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113522044
2-(3-fluoro-5-hydroxyphenyl)-1H-pyrimidin-6-one
CID 116453801
2-(3-fluoro-5-hydroxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 116453809
2-(3-fluoro-5-hydroxyphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 116453810
7-[(2,3-Dihydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863386

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(3-hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135919107) is 6-[(3-hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3-hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3-hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(C(F)(F)F)nc2c1CN(Cc1cccc(O)c1)CC2.
What is the InChIKey of 6-[(3-hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BLAIWRHIBPVUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-15(17,18)14-19-12-4-5-21(8-11(12)13(23)20-14)7-9-2-1-3-10(22)6-9/h1-3,6,22H,4-5,7-8H2,(H,19,20,23).
What are the key properties of 6-[(3-hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(3-hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 325.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135919107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).