8-[(2-fluorophenyl)methyl]-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

C19H14FN5O3 — CID 67307400

IUPAC8-[(2-fluorophenyl)methyl]-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(-c3cccc(O)c3)nnc2n(Cc2ccccc2F)c1=O
InChIInChI=1S/C19H14FN5O3/c1-24-18(27)15-17(23-22-16(21-15)11-6-4-7-13(26)9-11)25(19(24)28)10-12-5-2-3-8-14(12)20/h2-9,26H,10H2,1H3
InChIKeyPYDNYOVUPDXWCP-UHFFFAOYSA-N
MW379.35 g/mol
LogP1.45
Rot. Bonds3

About 8-[(2-fluorophenyl)methyl]-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

8-[(2-fluorophenyl)methyl]-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 67307400) has the molecular formula C19H14FN5O3 and a molecular weight of 379.35 g/mol. Its IUPAC name is 8-[(2-fluorophenyl)methyl]-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name8-[(2-fluorophenyl)methyl]-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID67307400
Molecular FormulaC19H14FN5O3
Molecular Weight379.35 g/mol
Exact Mass379.11
IUPAC Name8-[(2-fluorophenyl)methyl]-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(-c3cccc(O)c3)nnc2n(Cc2ccccc2F)c1=O
InChIInChI=1S/C19H14FN5O3/c1-24-18(27)15-17(23-22-16(21-15)11-6-4-7-13(26)9-11)25(19(24)28)10-12-5-2-3-8-14(12)20/h2-9,26H,10H2,1H3
InChIKeyPYDNYOVUPDXWCP-UHFFFAOYSA-N
XLogP1.45
TPSA102.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67309011
3-[4-[2-(diethylamino)ethoxy]phenyl]-8-[(2-fluorophenyl)methyl]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67307794
3-(3-hydroxyphenyl)-5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 69430725
8-chloro-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 573058
4-[8-[(3,4-difluorophenyl)methyl]-6-methyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 67307999
2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide
CID 1265638
8-(3,5-dimethylpyrazol-1-yl)-1-[(2-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
CID 16854902
3-[7-[(2,4-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylmethyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]benzoic acid
CID 69431758
1-[(2-fluorophenyl)methyl]-3-methyl-7H-purine-2,6-dione
CID 141307151
2-[8-(3,5-dimethylpyrazol-1-yl)-7-[(2-fluorophenyl)methyl]-3-methyl-2,6-dioxopurin-1-yl]acetamide
CID 16855469
8-[(3,4-difluorophenyl)methyl]-3-[4-[2-[2-(dimethylamino)ethylamino]ethoxy]phenyl]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67308066
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(3-methylphenoxy)purine-2,6-dione
CID 4280650

Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluorophenyl)methyl]-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 8-[(2-fluorophenyl)methyl]-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 67307400) is 8-[(2-fluorophenyl)methyl]-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 8-[(2-fluorophenyl)methyl]-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 8-[(2-fluorophenyl)methyl]-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cn1c(=O)c2nc(-c3cccc(O)c3)nnc2n(Cc2ccccc2F)c1=O.
What is the InChIKey of 8-[(2-fluorophenyl)methyl]-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is PYDNYOVUPDXWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3/c1-24-18(27)15-17(23-22-16(21-15)11-6-4-7-13(26)9-11)25(19(24)28)10-12-5-2-3-8-14(12)20/h2-9,26H,10H2,1H3.
What are the key properties of 8-[(2-fluorophenyl)methyl]-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
8-[(2-fluorophenyl)methyl]-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 379.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-fluorophenyl)methyl]-3-(3-hydroxyphenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 67307400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).