3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione

C10H12N4O2 — CID 107104039

IUPAC3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1CCCn1ccnc1
InChIInChI=1S/C10H12N4O2/c15-9-2-3-12-10(16)14(9)6-1-5-13-7-4-11-8-13/h2-4,7-8H,1,5-6H2,(H,12,16)
InChIKeyGBJQSLLFQCALRU-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.18
Rot. Bonds4

About 3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione

3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione (PubChem CID 107104039) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione
PubChem CID107104039
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1CCCn1ccnc1
InChIInChI=1S/C10H12N4O2/c15-9-2-3-12-10(16)14(9)6-1-5-13-7-4-11-8-13/h2-4,7-8H,1,5-6H2,(H,12,16)
InChIKeyGBJQSLLFQCALRU-UHFFFAOYSA-N
XLogP-0.18
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one
CID 103125486
6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione
CID 28994143
6-amino-3-(3-imidazol-1-ylpropyl)-1H-benzimidazol-2-one
CID 110491439
4-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazole-2-thione
CID 91415254
3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione
CID 87497402
3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione
CID 63811711
3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one
CID 114761432
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
1-(3-imidazol-1-ylpropyl)imidazo[4,5-c]pyridin-2-amine
CID 79295607
2-(3-imidazol-1-ylpropyl)-5-[2-(3-imidazol-1-ylpropyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 17296157
1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
CID 64874044

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione (CID 107104039) is 3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1CCCn1ccnc1.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is GBJQSLLFQCALRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-9-2-3-12-10(16)14(9)6-1-5-13-7-4-11-8-13/h2-4,7-8H,1,5-6H2,(H,12,16).
What are the key properties of 3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione?
3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 220.23 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107104039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).