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

C14H16N2O2 — CID 2823220

IUPAC1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)ccn(-c2ccccc2C)c1=O
InChIInChI=1S/C14H16N2O2/c1-3-9-16-13(17)8-10-15(14(16)18)12-7-5-4-6-11(12)2/h4-8,10H,3,9H2,1-2H3
InChIKeyJEETXYMDQKCQRO-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.72
Rot. Bonds3

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

1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione (PubChem CID 2823220) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione
PubChem CID2823220
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)ccn(-c2ccccc2C)c1=O
InChIInChI=1S/C14H16N2O2/c1-3-9-16-13(17)8-10-15(14(16)18)12-7-5-4-6-11(12)2/h4-8,10H,3,9H2,1-2H3
InChIKeyJEETXYMDQKCQRO-UHFFFAOYSA-N
XLogP1.72
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione (CID 2823220) is 1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione is CCCn1c(=O)ccn(-c2ccccc2C)c1=O.
What is the InChIKey of 1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione?
The InChIKey is JEETXYMDQKCQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-9-16-13(17)8-10-15(14(16)18)12-7-5-4-6-11(12)2/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione?
1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione has a molecular weight of 244.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2823220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).