6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione

C19H18N2O5 — CID 91276265

IUPAC6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)cc1OCc1ccccc1
InChIInChI=1S/C19H18N2O5/c1-25-15-8-7-13(9-14-17(22)20-19(24)21-18(14)23)10-16(15)26-11-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H3,20,21,22,23,24)
InChIKeyMOEOKUQDOKAPTO-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.95
Rot. Bonds6

About 6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 91276265) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID91276265
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)cc1OCc1ccccc1
InChIInChI=1S/C19H18N2O5/c1-25-15-8-7-13(9-14-17(22)20-19(24)21-18(14)23)10-16(15)26-11-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H3,20,21,22,23,24)
InChIKeyMOEOKUQDOKAPTO-UHFFFAOYSA-N
XLogP1.95
TPSA104.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 90483788
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid
CID 175151387
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
2-methoxy-4-[(2-methoxyphenoxy)methyl]phenol
CID 71421092
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine-1,4-diium
CID 7334786

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione (CID 91276265) is 6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione is COc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)cc1OCc1ccccc1.
What is the InChIKey of 6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is MOEOKUQDOKAPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-25-15-8-7-13(9-14-17(22)20-19(24)21-18(14)23)10-16(15)26-11-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H3,20,21,22,23,24).
What are the key properties of 6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 354.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91276265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).