3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione

C15H18N2O3 — CID 102940695

IUPAC3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(COCc2ccccc2)c1=O
InChIInChI=1S/C15H18N2O3/c1-2-9-16-10-8-14(18)17(15(16)19)12-20-11-13-6-4-3-5-7-13/h3-8,10H,2,9,11-12H2,1H3
InChIKeyVBKPOCZXGIFKEV-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.59
Rot. Bonds6

About 3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione

3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione (PubChem CID 102940695) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione
PubChem CID102940695
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(COCc2ccccc2)c1=O
InChIInChI=1S/C15H18N2O3/c1-2-9-16-10-8-14(18)17(15(16)19)12-20-11-13-6-4-3-5-7-13/h3-8,10H,2,9,11-12H2,1H3
InChIKeyVBKPOCZXGIFKEV-UHFFFAOYSA-N
XLogP1.59
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione
CID 63800154
3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione
CID 65177778
3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63812060
3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione
CID 63810122
3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 55239205
3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione
CID 63799114
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 59243561
3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione
CID 63811890
1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 63811395
1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 63812391
1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
CID 63810291
3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione
CID 65367266

Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione (CID 102940695) is 3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(COCc2ccccc2)c1=O.
What is the InChIKey of 3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is VBKPOCZXGIFKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-9-16-10-8-14(18)17(15(16)19)12-20-11-13-6-4-3-5-7-13/h3-8,10H,2,9,11-12H2,1H3.
What are the key properties of 3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione?
3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 102940695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).