1,3-dimethyl-6-(3-phenylmethoxypropyl)pyrimidine-2,4-dione

C16H20N2O3 — CID 22368917

IUPAC1,3-dimethyl-6-(3-phenylmethoxypropyl)pyrimidine-2,4-dione
SMILESCn1c(CCCOCc2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H20N2O3/c1-17-14(11-15(19)18(2)16(17)20)9-6-10-21-12-13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10,12H2,1-2H3
InChIKeyHFXQATJDVXKUGL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.23
Rot. Bonds6

About 1,3-dimethyl-6-(3-phenylmethoxypropyl)pyrimidine-2,4-dione

1,3-dimethyl-6-(3-phenylmethoxypropyl)pyrimidine-2,4-dione (PubChem CID 22368917) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1,3-dimethyl-6-(3-phenylmethoxypropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(3-phenylmethoxypropyl)pyrimidine-2,4-dione
PubChem CID22368917
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1,3-dimethyl-6-(3-phenylmethoxypropyl)pyrimidine-2,4-dione
SMILESCn1c(CCCOCc2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H20N2O3/c1-17-14(11-15(19)18(2)16(17)20)9-6-10-21-12-13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10,12H2,1-2H3
InChIKeyHFXQATJDVXKUGL-UHFFFAOYSA-N
XLogP1.23
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(3-phenylmethoxypropyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(3-phenylmethoxypropyl)pyrimidine-2,4-dione (CID 22368917) is 1,3-dimethyl-6-(3-phenylmethoxypropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(3-phenylmethoxypropyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(3-phenylmethoxypropyl)pyrimidine-2,4-dione is Cn1c(CCCOCc2ccccc2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-(3-phenylmethoxypropyl)pyrimidine-2,4-dione?
The InChIKey is HFXQATJDVXKUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-17-14(11-15(19)18(2)16(17)20)9-6-10-21-12-13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10,12H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-(3-phenylmethoxypropyl)pyrimidine-2,4-dione?
1,3-dimethyl-6-(3-phenylmethoxypropyl)pyrimidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(3-phenylmethoxypropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 22368917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).