6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile

C12H13N5O2 — CID 107544746

IUPAC6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CCC(=O)N(C)C2=O)n1
InChIInChI=1S/C12H13N5O2/c1-7-5-8(6-13)15-12(14-7)16-9-3-4-10(18)17(2)11(9)19/h5,9H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyCFXOULZZFHUWIH-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.22
Rot. Bonds2

About 6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile

6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 107544746) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile
PubChem CID107544746
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CCC(=O)N(C)C2=O)n1
InChIInChI=1S/C12H13N5O2/c1-7-5-8(6-13)15-12(14-7)16-9-3-4-10(18)17(2)11(9)19/h5,9H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyCFXOULZZFHUWIH-UHFFFAOYSA-N
XLogP0.22
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile (CID 107544746) is 6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NC2CCC(=O)N(C)C2=O)n1.
What is the InChIKey of 6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is CFXOULZZFHUWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7-5-8(6-13)15-12(14-7)16-9-3-4-10(18)17(2)11(9)19/h5,9H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile?
6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 259.27 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).