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

C10H12N4O2 — CID 66142173

IUPAC5-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCc1cn(Cc2cncn2C)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N4O2/c1-7-4-14(10(16)12-9(7)15)5-8-3-11-6-13(8)2/h3-4,6H,5H2,1-2H3,(H,12,15,16)
InChIKeyBTDGZSCDSXWFSR-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.37
Rot. Bonds2

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

5-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrimidine-2,4-dione (PubChem CID 66142173) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrimidine-2,4-dione
PubChem CID66142173
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCc1cn(Cc2cncn2C)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N4O2/c1-7-4-14(10(16)12-9(7)15)5-8-3-11-6-13(8)2/h3-4,6H,5H2,1-2H3,(H,12,15,16)
InChIKeyBTDGZSCDSXWFSR-UHFFFAOYSA-N
XLogP-0.37
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.37
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-methylimidazol-4-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrimidine-2,4-dione (CID 66142173) is 5-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrimidine-2,4-dione is Cc1cn(Cc2cncn2C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is BTDGZSCDSXWFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7-4-14(10(16)12-9(7)15)5-8-3-11-6-13(8)2/h3-4,6H,5H2,1-2H3,(H,12,15,16).
What are the key properties of 5-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrimidine-2,4-dione?
5-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 220.23 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66142173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).