3-benzyl-6-propyl-1H-pyrimidine-2,4-dione

C14H16N2O2 — CID 22075417

IUPAC3-benzyl-6-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1cc(=O)n(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H16N2O2/c1-2-6-12-9-13(17)16(14(18)15-12)10-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,15,18)
InChIKeyCQLHGFQORKOGQT-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.54
Rot. Bonds4

About 3-benzyl-6-propyl-1H-pyrimidine-2,4-dione

3-benzyl-6-propyl-1H-pyrimidine-2,4-dione (PubChem CID 22075417) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-benzyl-6-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-6-propyl-1H-pyrimidine-2,4-dione
PubChem CID22075417
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-benzyl-6-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1cc(=O)n(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H16N2O2/c1-2-6-12-9-13(17)16(14(18)15-12)10-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,15,18)
InChIKeyCQLHGFQORKOGQT-UHFFFAOYSA-N
XLogP1.54
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-6-propyl-1H-pyrimidine-2,4-dione (CID 22075417) is 3-benzyl-6-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-6-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-6-propyl-1H-pyrimidine-2,4-dione is CCCc1cc(=O)n(Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-benzyl-6-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is CQLHGFQORKOGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-6-12-9-13(17)16(14(18)15-12)10-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,15,18).
What are the key properties of 3-benzyl-6-propyl-1H-pyrimidine-2,4-dione?
3-benzyl-6-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 244.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 22075417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).