3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione

C10H12N4O2 — CID 63811711

IUPAC3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(CCn2ccnc2)c1=O
InChIInChI=1S/C10H12N4O2/c1-12-4-2-9(15)14(10(12)16)7-6-13-5-3-11-8-13/h2-5,8H,6-7H2,1H3
InChIKeyKRZLLWDMJYHSLM-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.56
Rot. Bonds3

About 3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione

3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione (PubChem CID 63811711) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione
PubChem CID63811711
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(CCn2ccnc2)c1=O
InChIInChI=1S/C10H12N4O2/c1-12-4-2-9(15)14(10(12)16)7-6-13-5-3-11-8-13/h2-5,8H,6-7H2,1H3
InChIKeyKRZLLWDMJYHSLM-UHFFFAOYSA-N
XLogP-0.56
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 82891914
1-(2-imidazol-1-ylethyl)-4-methylpyridin-2-one
CID 115777761
3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione
CID 107104039
3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanethioamide
CID 63800675
3-(2-ethylsulfanylethyl)-1-methylpyrimidine-2,4-dione
CID 115865604
3-(3-hydroxy-2-methylpropyl)-1-methylpyrimidine-2,4-dione
CID 115870960
1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione
CID 79241293
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione
CID 63811354
3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione
CID 63799617
3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione
CID 63810772
1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone
CID 79107454

Frequently Asked Questions

What is the IUPAC name of 3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione (CID 63811711) is 3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione is Cn1ccc(=O)n(CCn2ccnc2)c1=O.
What is the InChIKey of 3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is KRZLLWDMJYHSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-12-4-2-9(15)14(10(12)16)7-6-13-5-3-11-8-13/h2-5,8H,6-7H2,1H3.
What are the key properties of 3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione?
3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 220.23 g/mol, XLogP of -0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 63811711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).