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

C14H15N3O2 — CID 103483812

IUPAC3-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1Cc1ccc(O)cc1)CNCC2
InChIInChI=1S/C14H15N3O2/c18-11-3-1-10(2-4-11)8-17-9-16-13-7-15-6-5-12(13)14(17)19/h1-4,9,15,18H,5-8H2
InChIKeyROBSDMSPYIXPJH-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.64
Rot. Bonds2

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

3-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483812) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483812
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1Cc1ccc(O)cc1)CNCC2
InChIInChI=1S/C14H15N3O2/c18-11-3-1-10(2-4-11)8-17-9-16-13-7-15-6-5-12(13)14(17)19/h1-4,9,15,18H,5-8H2
InChIKeyROBSDMSPYIXPJH-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

2-(4-hydroxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 23625669
7-[(4-Hydroxyphenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707099
2-(3-Fluoro-4-hydroxyphenyl)-7-(piperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 89739380
3-[(3-Fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483564
3-[(2-Fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483833
7-[(2,4-Dihydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863686
7-[(2-Hydroxy-5-methylphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864765
7-[(3,4-Dihydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865065
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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483812) is 3-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1c2c(ncn1Cc1ccc(O)cc1)CNCC2.
What is the InChIKey of 3-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ROBSDMSPYIXPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-11-3-1-10(2-4-11)8-17-9-16-13-7-15-6-5-12(13)14(17)19/h1-4,9,15,18H,5-8H2.
What are the key properties of 3-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-[(4-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-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).