6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione

C13H14N2O3 — CID 2756642

IUPAC6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1COCc1ccccc1
InChIInChI=1S/C13H14N2O3/c1-9-11(12(16)15-13(17)14-9)8-18-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyWOHVAVCCVBQDMC-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.09
Rot. Bonds4

About 6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione

6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 2756642) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID2756642
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1COCc1ccccc1
InChIInChI=1S/C13H14N2O3/c1-9-11(12(16)15-13(17)14-9)8-18-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyWOHVAVCCVBQDMC-UHFFFAOYSA-N
XLogP1.09
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-((Benzyloxy)methyl)pyrimidine-2,4(1H,3H)-dione
CID 309850
1-(Benzyloxymethyl)-6-(cyclohexylmethyl)-5-methyl-pyrimidine-2,4-dione
CID 129909458
1-[(benzyloxy)methyl]-5-bromo-6-methylpyrimidine-2,4(1H,3H)-dione
CID 712632
1-[(Z)-4-benzyloxybut-2-enyl]-5-methyl-pyrimidine-2,4-dione
CID 6477696
1-(Methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione
CID 90681089
3-(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione
CID 90681090
1-{[2-(benzyloxy)ethoxy]methyl}-6-methylpyrimidine-2,4(1H,3H)-dione
CID 4920074
1-[(benzyloxy)methyl]-6-methylpyrimidine-2,4(1H,3H)-dione
CID 15217036
6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]-1H-pyrimidine-2,4-dione
CID 90681097
6-(2-hydroxy-3-phenylmethoxypropyl)-1H-pyrimidine-2,4-dione
CID 90681100
6-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 90681101
6-(Benzyloxymethyl)-1-(isopentyloxymethyl)pyrimidine-2,4-dione
CID 127047775

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione (CID 2756642) is 6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1COCc1ccccc1.
What is the InChIKey of 6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is WOHVAVCCVBQDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-11(12(16)15-13(17)14-9)8-18-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione?
6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2756642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).