4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one

C11H16N4O — CID 45182021

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one
SMILESCc1cc(C)nc(NC2CC(=O)N(C)C2)n1
InChIInChI=1S/C11H16N4O/c1-7-4-8(2)13-11(12-7)14-9-5-10(16)15(3)6-9/h4,9H,5-6H2,1-3H3,(H,12,13,14)
InChIKeyBQJWRVKLLATJJF-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.74
Rot. Bonds2

About 4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one

4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 45182021) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID45182021
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one
SMILESCc1cc(C)nc(NC2CC(=O)N(C)C2)n1
InChIInChI=1S/C11H16N4O/c1-7-4-8(2)13-11(12-7)14-9-5-10(16)15(3)6-9/h4,9H,5-6H2,1-3H3,(H,12,13,14)
InChIKeyBQJWRVKLLATJJF-UHFFFAOYSA-N
XLogP0.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one (CID 45182021) is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one is Cc1cc(C)nc(NC2CC(=O)N(C)C2)n1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is BQJWRVKLLATJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7-4-8(2)13-11(12-7)14-9-5-10(16)15(3)6-9/h4,9H,5-6H2,1-3H3,(H,12,13,14).
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one?
4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 45182021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).