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

C14H15N3O2 — CID 103483870

IUPAC3-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1Cc1cccc(O)c1)CNCC2
InChIInChI=1S/C14H15N3O2/c18-11-3-1-2-10(6-11)8-17-9-16-13-7-15-5-4-12(13)14(17)19/h1-3,6,9,15,18H,4-5,7-8H2
InChIKeyOSWAKADWNQPBKK-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.64
Rot. Bonds2

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

3-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483870) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483870
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1Cc1cccc(O)c1)CNCC2
InChIInChI=1S/C14H15N3O2/c18-11-3-1-2-10(6-11)8-17-9-16-13-7-15-5-4-12(13)14(17)19/h1-3,6,9,15,18H,4-5,7-8H2
InChIKeyOSWAKADWNQPBKK-UHFFFAOYSA-N
XLogP0.64
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzhydryliminomethylamino)-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;3-(trifluoromethyl)phenol;yttrium
CID 145503022
3-[(2-Fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483624
7-[(2,3-Dihydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863386
7-[(2,5-Dihydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863866
7-[(3,4-Dihydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865065
7-[(3,5-Dihydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865224
7-[(3-Fluoro-2-hydroxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865730
7-[(3-Fluoro-2-hydroxyphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865740
7-[(3-Fluoro-2-hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865743
7-[(2-Hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865986
6-[(3-Hydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919107
2-(3-Fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 142511008

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483870) is 3-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1c2c(ncn1Cc1cccc(O)c1)CNCC2.
What is the InChIKey of 3-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is OSWAKADWNQPBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-11-3-1-2-10(6-11)8-17-9-16-13-7-15-5-4-12(13)14(17)19/h1-3,6,9,15,18H,4-5,7-8H2.
What are the key properties of 3-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 257.29 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).