3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one

C11H18N6O — CID 106258583

IUPAC3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
SMILESCCNc1cc(NC2CCN(C)C2=O)nc(N)n1
InChIInChI=1S/C11H18N6O/c1-3-13-8-6-9(16-11(12)15-8)14-7-4-5-17(2)10(7)18/h6-7H,3-5H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyLNUYEJUXEQILGJ-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.13
Rot. Bonds4

About 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one

3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one (PubChem CID 106258583) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
PubChem CID106258583
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
SMILESCCNc1cc(NC2CCN(C)C2=O)nc(N)n1
InChIInChI=1S/C11H18N6O/c1-3-13-8-6-9(16-11(12)15-8)14-7-4-5-17(2)10(7)18/h6-7H,3-5H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyLNUYEJUXEQILGJ-UHFFFAOYSA-N
XLogP0.13
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 114165256
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 80959483
1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 104891772
3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258511
3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106258631
6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 103680905
6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine
CID 80797635
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 114165271
4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80840975
6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine
CID 80819636
3-[(6-amino-1,3-benzothiazol-2-yl)amino]-1-methylpyrrolidin-2-one
CID 114164231

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one (CID 106258583) is 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one is CCNc1cc(NC2CCN(C)C2=O)nc(N)n1.
What is the InChIKey of 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is LNUYEJUXEQILGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-3-13-8-6-9(16-11(12)15-8)14-7-4-5-17(2)10(7)18/h6-7H,3-5H2,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 250.31 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106258583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).