anthracene;1H-pyrimidine-2,4-dione

C18H14N2O2 — CID 160812079

IUPACanthracene;1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)[nH]1.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C4H4N2O2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;7-3-1-2-5-4(8)6-3/h1-10H;1-2H,(H2,5,6,7,8)
InChIKeySEKROWDVZDTOLA-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.06
Rot. Bonds

About anthracene;1H-pyrimidine-2,4-dione

anthracene;1H-pyrimidine-2,4-dione (PubChem CID 160812079) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is anthracene;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Nameanthracene;1H-pyrimidine-2,4-dione
PubChem CID160812079
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Nameanthracene;1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)[nH]1.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C4H4N2O2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;7-3-1-2-5-4(8)6-3/h1-10H;1-2H,(H2,5,6,7,8)
InChIKeySEKROWDVZDTOLA-UHFFFAOYSA-N
XLogP3.06
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracene;1H-pyrimidine-2,4-dione?
The IUPAC name of anthracene;1H-pyrimidine-2,4-dione (CID 160812079) is anthracene;1H-pyrimidine-2,4-dione.
What is the SMILES notation for anthracene;1H-pyrimidine-2,4-dione?
The canonical SMILES for anthracene;1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)[nH]1.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;1H-pyrimidine-2,4-dione?
The InChIKey is SEKROWDVZDTOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C4H4N2O2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;7-3-1-2-5-4(8)6-3/h1-10H;1-2H,(H2,5,6,7,8).
What are the key properties of anthracene;1H-pyrimidine-2,4-dione?
anthracene;1H-pyrimidine-2,4-dione has a molecular weight of 290.32 g/mol, XLogP of 3.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 160812079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).