6-anilino-1-methylpyrimidine-2,4-dione

C11H11N3O2 — CID 1230896

IUPAC6-anilino-1-methylpyrimidine-2,4-dione
SMILESCn1c(Nc2ccccc2)cc(=O)[nH]c1=O
InChIInChI=1S/C11H11N3O2/c1-14-9(7-10(15)13-11(14)16)12-8-5-3-2-4-6-8/h2-7,12H,1H3,(H,13,15,16)
InChIKeyFEPMHCNBTXFRJD-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.82
Rot. Bonds2

About 6-anilino-1-methylpyrimidine-2,4-dione

6-anilino-1-methylpyrimidine-2,4-dione (PubChem CID 1230896) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 6-anilino-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-anilino-1-methylpyrimidine-2,4-dione
PubChem CID1230896
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name6-anilino-1-methylpyrimidine-2,4-dione
SMILESCn1c(Nc2ccccc2)cc(=O)[nH]c1=O
InChIInChI=1S/C11H11N3O2/c1-14-9(7-10(15)13-11(14)16)12-8-5-3-2-4-6-8/h2-7,12H,1H3,(H,13,15,16)
InChIKeyFEPMHCNBTXFRJD-UHFFFAOYSA-N
XLogP0.82
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-anilino-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-anilino-1-methylpyrimidine-2,4-dione (CID 1230896) is 6-anilino-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-anilino-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-anilino-1-methylpyrimidine-2,4-dione is Cn1c(Nc2ccccc2)cc(=O)[nH]c1=O.
What is the InChIKey of 6-anilino-1-methylpyrimidine-2,4-dione?
The InChIKey is FEPMHCNBTXFRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-9(7-10(15)13-11(14)16)12-8-5-3-2-4-6-8/h2-7,12H,1H3,(H,13,15,16).
What are the key properties of 6-anilino-1-methylpyrimidine-2,4-dione?
6-anilino-1-methylpyrimidine-2,4-dione has a molecular weight of 217.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 1230896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).