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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
CID 3406725
(5E)-3-butyl-6-hydroxy-5-(1-{[3-(1H-imidazol-1-yl)propyl]amino}ethylidene)pyrimidine-2,4(3H,5H)-dione
CID 4873047
(5E)-1-butyl-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 5129107
(E)-5-(1-((3-(1H-imidazol-1-yl)propyl)amino)ethylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 3788102
2,6-diamino-5-(1H-imidazol-1-ylmethyl)-4-pyrimidinol
CID 135403641
1H-Imidazole, 1-(2-methyl-1-oxo-2-propenyl)-
CID 534045
(5E)-1-hexyl-5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-diazinane-2,4,6-trione
CID 3829696
5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione
CID 314509
6-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 72047209
2-((3-(1H-imidazol-1-yl)propyl)amino)-6-methylpyrimidin-4-ol
CID 135611993
N-(3-(1H-imidazol-1-yl)propyl)-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 45280798
1-Ethenylimidazole;1-ethenylpyrrolidin-2-one;2-methylprop-2-enamide
CID 160055894

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).