4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one

C10H12N4O — CID 106953040

IUPAC4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(c2ccncn2)NC1=O
InChIInChI=1S/C10H12N4O/c1-6(2)8-10(15)14-9(13-8)7-3-4-11-5-12-7/h3-6,8H,1-2H3,(H,13,14,15)
InChIKeyBCMRKKKZUCSOEP-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.38
Rot. Bonds2

About 4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one

4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one (PubChem CID 106953040) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one
PubChem CID106953040
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(c2ccncn2)NC1=O
InChIInChI=1S/C10H12N4O/c1-6(2)8-10(15)14-9(13-8)7-3-4-11-5-12-7/h3-6,8H,1-2H3,(H,13,14,15)
InChIKeyBCMRKKKZUCSOEP-UHFFFAOYSA-N
XLogP0.38
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one (CID 106953040) is 4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one is CC(C)C1N=C(c2ccncn2)NC1=O.
What is the InChIKey of 4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one?
The InChIKey is BCMRKKKZUCSOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6(2)8-10(15)14-9(13-8)7-3-4-11-5-12-7/h3-6,8H,1-2H3,(H,13,14,15).
What are the key properties of 4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one?
4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one has a molecular weight of 204.23 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106953040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).