3-methyl-2,4-dioxo-1-pyridin-4-ylpyrimidine-5-carbonitrile

C11H8N4O2 — CID 56689953

IUPAC3-methyl-2,4-dioxo-1-pyridin-4-ylpyrimidine-5-carbonitrile
SMILESCn1c(=O)c(C#N)cn(-c2ccncc2)c1=O
InChIInChI=1S/C11H8N4O2/c1-14-10(16)8(6-12)7-15(11(14)17)9-2-4-13-5-3-9/h2-5,7H,1H3
InChIKeyQWNKLALABSBVJR-UHFFFAOYSA-N
MW228.21 g/mol
LogP-0.20
Rot. Bonds1

About 3-methyl-2,4-dioxo-1-pyridin-4-ylpyrimidine-5-carbonitrile

3-methyl-2,4-dioxo-1-pyridin-4-ylpyrimidine-5-carbonitrile (PubChem CID 56689953) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 3-methyl-2,4-dioxo-1-pyridin-4-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-2,4-dioxo-1-pyridin-4-ylpyrimidine-5-carbonitrile
PubChem CID56689953
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name3-methyl-2,4-dioxo-1-pyridin-4-ylpyrimidine-5-carbonitrile
SMILESCn1c(=O)c(C#N)cn(-c2ccncc2)c1=O
InChIInChI=1S/C11H8N4O2/c1-14-10(16)8(6-12)7-15(11(14)17)9-2-4-13-5-3-9/h2-5,7H,1H3
InChIKeyQWNKLALABSBVJR-UHFFFAOYSA-N
XLogP-0.20
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dioxo-1-pyridin-4-ylpyrimidine-5-carbonitrile?
The IUPAC name of 3-methyl-2,4-dioxo-1-pyridin-4-ylpyrimidine-5-carbonitrile (CID 56689953) is 3-methyl-2,4-dioxo-1-pyridin-4-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 3-methyl-2,4-dioxo-1-pyridin-4-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 3-methyl-2,4-dioxo-1-pyridin-4-ylpyrimidine-5-carbonitrile is Cn1c(=O)c(C#N)cn(-c2ccncc2)c1=O.
What is the InChIKey of 3-methyl-2,4-dioxo-1-pyridin-4-ylpyrimidine-5-carbonitrile?
The InChIKey is QWNKLALABSBVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c1-14-10(16)8(6-12)7-15(11(14)17)9-2-4-13-5-3-9/h2-5,7H,1H3.
What are the key properties of 3-methyl-2,4-dioxo-1-pyridin-4-ylpyrimidine-5-carbonitrile?
3-methyl-2,4-dioxo-1-pyridin-4-ylpyrimidine-5-carbonitrile has a molecular weight of 228.21 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-dioxo-1-pyridin-4-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 56689953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).