2-(2-methylpyrimidin-4-yl)-1,4-dihydroimidazol-5-one

C8H8N4O — CID 106951793

IUPAC2-(2-methylpyrimidin-4-yl)-1,4-dihydroimidazol-5-one
SMILESCc1nccc(C2=NCC(=O)N2)n1
InChIInChI=1S/C8H8N4O/c1-5-9-3-2-6(11-5)8-10-4-7(13)12-8/h2-3H,4H2,1H3,(H,10,12,13)
InChIKeyWIAGLPPWKHKHTM-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.34
Rot. Bonds1

About 2-(2-methylpyrimidin-4-yl)-1,4-dihydroimidazol-5-one

2-(2-methylpyrimidin-4-yl)-1,4-dihydroimidazol-5-one (PubChem CID 106951793) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-(2-methylpyrimidin-4-yl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(2-methylpyrimidin-4-yl)-1,4-dihydroimidazol-5-one
PubChem CID106951793
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name2-(2-methylpyrimidin-4-yl)-1,4-dihydroimidazol-5-one
SMILESCc1nccc(C2=NCC(=O)N2)n1
InChIInChI=1S/C8H8N4O/c1-5-9-3-2-6(11-5)8-10-4-7(13)12-8/h2-3H,4H2,1H3,(H,10,12,13)
InChIKeyWIAGLPPWKHKHTM-UHFFFAOYSA-N
XLogP-0.34
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrimidin-4-yl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(2-methylpyrimidin-4-yl)-1,4-dihydroimidazol-5-one (CID 106951793) is 2-(2-methylpyrimidin-4-yl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(2-methylpyrimidin-4-yl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(2-methylpyrimidin-4-yl)-1,4-dihydroimidazol-5-one is Cc1nccc(C2=NCC(=O)N2)n1.
What is the InChIKey of 2-(2-methylpyrimidin-4-yl)-1,4-dihydroimidazol-5-one?
The InChIKey is WIAGLPPWKHKHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-5-9-3-2-6(11-5)8-10-4-7(13)12-8/h2-3H,4H2,1H3,(H,10,12,13).
What are the key properties of 2-(2-methylpyrimidin-4-yl)-1,4-dihydroimidazol-5-one?
2-(2-methylpyrimidin-4-yl)-1,4-dihydroimidazol-5-one has a molecular weight of 176.18 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrimidin-4-yl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).