5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione

C9H10N4O2 — CID 143870304

IUPAC5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1cc(Cn2ccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C9H10N4O2/c1-12-4-7(8(14)11-9(12)15)5-13-3-2-10-6-13/h2-4,6H,5H2,1H3,(H,11,14,15)
InChIKeyBLMMBIOCUZHNPL-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.68
Rot. Bonds2

About 5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione

5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione (PubChem CID 143870304) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione
PubChem CID143870304
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1cc(Cn2ccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C9H10N4O2/c1-12-4-7(8(14)11-9(12)15)5-13-3-2-10-6-13/h2-4,6H,5H2,1H3,(H,11,14,15)
InChIKeyBLMMBIOCUZHNPL-UHFFFAOYSA-N
XLogP-0.68
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione (CID 143870304) is 5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione is Cn1cc(Cn2ccnc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is BLMMBIOCUZHNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-12-4-7(8(14)11-9(12)15)5-13-3-2-10-6-13/h2-4,6H,5H2,1H3,(H,11,14,15).
What are the key properties of 5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione?
5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 206.21 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 143870304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).