5-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrimidine-2,4-dione

C12H16N4O2 — CID 66154627

IUPAC5-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCc1cn(Cc2cncn2C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O2/c1-8(2)16-7-13-4-10(16)6-15-5-9(3)11(17)14-12(15)18/h4-5,7-8H,6H2,1-3H3,(H,14,17,18)
InChIKeyZNWPLPMCPFTYIU-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.67
Rot. Bonds3

About 5-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrimidine-2,4-dione

5-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrimidine-2,4-dione (PubChem CID 66154627) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrimidine-2,4-dione
PubChem CID66154627
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCc1cn(Cc2cncn2C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O2/c1-8(2)16-7-13-4-10(16)6-15-5-9(3)11(17)14-12(15)18/h4-5,7-8H,6H2,1-3H3,(H,14,17,18)
InChIKeyZNWPLPMCPFTYIU-UHFFFAOYSA-N
XLogP0.67
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrimidine-2,4-dione (CID 66154627) is 5-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrimidine-2,4-dione is Cc1cn(Cc2cncn2C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is ZNWPLPMCPFTYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(2)16-7-13-4-10(16)6-15-5-9(3)11(17)14-12(15)18/h4-5,7-8H,6H2,1-3H3,(H,14,17,18).
What are the key properties of 5-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrimidine-2,4-dione?
5-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 248.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66154627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).