3-phenacyl-1H-pyrimidine-2,4-dione

C12H10N2O3 — CID 10443828

IUPAC3-phenacyl-1H-pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)cc[nH]c1=O)c1ccccc1
InChIInChI=1S/C12H10N2O3/c15-10(9-4-2-1-3-5-9)8-14-11(16)6-7-13-12(14)17/h1-7H,8H2,(H,13,17)
InChIKeyKTVCSAIUKFKIOO-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.42
Rot. Bonds3

About 3-phenacyl-1H-pyrimidine-2,4-dione

3-phenacyl-1H-pyrimidine-2,4-dione (PubChem CID 10443828) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-phenacyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-phenacyl-1H-pyrimidine-2,4-dione
PubChem CID10443828
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-phenacyl-1H-pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)cc[nH]c1=O)c1ccccc1
InChIInChI=1S/C12H10N2O3/c15-10(9-4-2-1-3-5-9)8-14-11(16)6-7-13-12(14)17/h1-7H,8H2,(H,13,17)
InChIKeyKTVCSAIUKFKIOO-UHFFFAOYSA-N
XLogP0.42
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenacyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-phenacyl-1H-pyrimidine-2,4-dione (CID 10443828) is 3-phenacyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-phenacyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-phenacyl-1H-pyrimidine-2,4-dione is O=C(Cn1c(=O)cc[nH]c1=O)c1ccccc1.
What is the InChIKey of 3-phenacyl-1H-pyrimidine-2,4-dione?
The InChIKey is KTVCSAIUKFKIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-10(9-4-2-1-3-5-9)8-14-11(16)6-7-13-12(14)17/h1-7H,8H2,(H,13,17).
What are the key properties of 3-phenacyl-1H-pyrimidine-2,4-dione?
3-phenacyl-1H-pyrimidine-2,4-dione has a molecular weight of 230.22 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenacyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10443828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).