5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione

C15H16N2O2 — CID 59709014

IUPAC5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione
SMILESC/C=C/c1ccc(Cn2cc(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H16N2O2/c1-3-4-12-5-7-13(8-6-12)10-17-9-11(2)14(18)16-15(17)19/h3-9H,10H2,1-2H3,(H,16,18,19)/b4-3+
InChIKeyOHHGWVCLHUAJIP-ONEGZZNKSA-N
MW256.31 g/mol
LogP1.93
Rot. Bonds3

About 5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione

5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 59709014) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione
PubChem CID59709014
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione
SMILESC/C=C/c1ccc(Cn2cc(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H16N2O2/c1-3-4-12-5-7-13(8-6-12)10-17-9-11(2)14(18)16-15(17)19/h3-9H,10H2,1-2H3,(H,16,18,19)/b4-3+
InChIKeyOHHGWVCLHUAJIP-ONEGZZNKSA-N
XLogP1.93
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione (CID 59709014) is 5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione is C/C=C/c1ccc(Cn2cc(C)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is OHHGWVCLHUAJIP-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-4-12-5-7-13(8-6-12)10-17-9-11(2)14(18)16-15(17)19/h3-9H,10H2,1-2H3,(H,16,18,19)/b4-3+.
What are the key properties of 5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione?
5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 256.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[4-[(E)-prop-1-enyl]phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 59709014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).