1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile

C11H8N4O2 — CID 901746

IUPAC1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESCc1cccc(-n2cc(C#N)c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H8N4O2/c1-7-3-2-4-9(13-7)15-6-8(5-12)10(16)14-11(15)17/h2-4,6H,1H3,(H,14,16,17)
InChIKeyYYHFNFNKVFBFKM-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.10
Rot. Bonds1

About 1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile

1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 901746) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID901746
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESCc1cccc(-n2cc(C#N)c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H8N4O2/c1-7-3-2-4-9(13-7)15-6-8(5-12)10(16)14-11(15)17/h2-4,6H,1H3,(H,14,16,17)
InChIKeyYYHFNFNKVFBFKM-UHFFFAOYSA-N
XLogP0.10
TPSA91.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile (CID 901746) is 1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile is Cc1cccc(-n2cc(C#N)c(=O)[nH]c2=O)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is YYHFNFNKVFBFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c1-7-3-2-4-9(13-7)15-6-8(5-12)10(16)14-11(15)17/h2-4,6H,1H3,(H,14,16,17).
What are the key properties of 1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile?
1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 228.21 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 901746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).