4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one

C14H16N2O5 — CID 626123

IUPAC4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1cc(Cc2c(O)nc[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C14H16N2O5/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-13(17)15-7-16-14(9)18/h5-7H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeySYVQXNLIRLQLGK-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.09
Rot. Bonds5

About 4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one

4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 626123) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID626123
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1cc(Cc2c(O)nc[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C14H16N2O5/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-13(17)15-7-16-14(9)18/h5-7H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeySYVQXNLIRLQLGK-UHFFFAOYSA-N
XLogP1.09
TPSA93.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1H-Pyrimido(4,5-c)-1,2-diazepine-3-carboxylic acid, 6,7-dihydro-8-amino-1-methyl-6-oxo-5-(3,4,5-trimethoxyphenyl)-, methyl ester
CID 135770247
2-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-4-one
CID 597783
5-(4-Methoxybenzyl)-4,6-pyrimidinediol
CID 3792865
5,5'-[(3,4,5-trimethoxyphenyl)methylene]bis[6-hydroxy-2-(methylthio)-4(3H)-pyrimidinone]
CID 2929973
13-Sulfanylidene-9-(3,4,5-trimethoxyphenyl)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4-triene-7,11-dione
CID 56970983
4-Hydroxy-6-(3,4,5-trimethoxyphenyl)-pyrimidine
CID 135754689
2,4-diamino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 136054599
6-Hydroxytrimethoprim
CID 135956782
3,5-Pyridinedicarboxamide, 1,4-dihydro-N,N',2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-
CID 3074793
2-Amino-5-(4-hydroxy-3,5-dimethoxybenzyl)pyrimidin-4(3H)-one
CID 12577393
2-amino-5-(3,4,5-trimethoxyphenyl)-5,6-dihydro-3H-furo[2,3-d]pyrimidin-4-one
CID 475757
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8243582

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one (CID 626123) is 4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one is COc1cc(Cc2c(O)nc[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of 4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is SYVQXNLIRLQLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-13(17)15-7-16-14(9)18/h5-7H,4H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 292.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 626123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).