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

C15H12N4O2 — CID 174377949

IUPAC1H-perimidine;1H-pyrimidine-2,4-dione
SMILESC1=Nc2cccc3cccc(c23)N1.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C11H8N2.C4H4N2O2/c1-3-8-4-2-6-10-11(8)9(5-1)12-7-13-10;7-3-1-2-5-4(8)6-3/h1-7H,(H,12,13);1-2H,(H2,5,6,7,8)
InChIKeyBXTKYLVTCPFEHW-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.99
Rot. Bonds

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

1H-perimidine;1H-pyrimidine-2,4-dione (PubChem CID 174377949) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1H-perimidine;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name1H-perimidine;1H-pyrimidine-2,4-dione
PubChem CID174377949
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name1H-perimidine;1H-pyrimidine-2,4-dione
SMILESC1=Nc2cccc3cccc(c23)N1.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C11H8N2.C4H4N2O2/c1-3-8-4-2-6-10-11(8)9(5-1)12-7-13-10;7-3-1-2-5-4(8)6-3/h1-7H,(H,12,13);1-2H,(H2,5,6,7,8)
InChIKeyBXTKYLVTCPFEHW-UHFFFAOYSA-N
XLogP1.99
TPSA90.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-perimidine;1H-pyrimidine-2,4-dione?
The IUPAC name of 1H-perimidine;1H-pyrimidine-2,4-dione (CID 174377949) is 1H-perimidine;1H-pyrimidine-2,4-dione.
What is the SMILES notation for 1H-perimidine;1H-pyrimidine-2,4-dione?
The canonical SMILES for 1H-perimidine;1H-pyrimidine-2,4-dione is C1=Nc2cccc3cccc(c23)N1.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 1H-perimidine;1H-pyrimidine-2,4-dione?
The InChIKey is BXTKYLVTCPFEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2.C4H4N2O2/c1-3-8-4-2-6-10-11(8)9(5-1)12-7-13-10;7-3-1-2-5-4(8)6-3/h1-7H,(H,12,13);1-2H,(H2,5,6,7,8).
What are the key properties of 1H-perimidine;1H-pyrimidine-2,4-dione?
1H-perimidine;1H-pyrimidine-2,4-dione has a molecular weight of 280.29 g/mol, XLogP of 1.99, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-perimidine;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 174377949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).