2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile

C11H11N5O2 — CID 107544744

IUPAC2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C11H11N5O2/c1-6-4-7(5-12)14-11(13-6)15-8-2-3-9(17)16-10(8)18/h4,8H,2-3H2,1H3,(H,13,14,15)(H,16,17,18)
InChIKeyPVFFHFVPYWKXNN-UHFFFAOYSA-N
MW245.24 g/mol
LogP-0.13
Rot. Bonds2

About 2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile

2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107544744) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107544744
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C11H11N5O2/c1-6-4-7(5-12)14-11(13-6)15-8-2-3-9(17)16-10(8)18/h4,8H,2-3H2,1H3,(H,13,14,15)(H,16,17,18)
InChIKeyPVFFHFVPYWKXNN-UHFFFAOYSA-N
XLogP-0.13
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
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 2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107544744) is 2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NC2CCC(=O)NC2=O)n1.
What is the InChIKey of 2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is PVFFHFVPYWKXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-6-4-7(5-12)14-11(13-6)15-8-2-3-9(17)16-10(8)18/h4,8H,2-3H2,1H3,(H,13,14,15)(H,16,17,18).
What are the key properties of 2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 245.24 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dioxopiperidin-3-yl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107544744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).