3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one

C13H21N5O — CID 106258631

IUPAC3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
SMILESCCNc1ncnc(NC2CCN(C)C2=O)c1CC
InChIInChI=1S/C13H21N5O/c1-4-9-11(14-5-2)15-8-16-12(9)17-10-6-7-18(3)13(10)19/h8,10H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyQMOIMWZCMHXDAR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.11
Rot. Bonds5

About 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one

3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one (PubChem CID 106258631) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
PubChem CID106258631
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
SMILESCCNc1ncnc(NC2CCN(C)C2=O)c1CC
InChIInChI=1S/C13H21N5O/c1-4-9-11(14-5-2)15-8-16-12(9)17-10-6-7-18(3)13(10)19/h8,10H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyQMOIMWZCMHXDAR-UHFFFAOYSA-N
XLogP1.11
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106256817
1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106258791
3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258572
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 114165271
3-[(6-amino-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258768
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106256788
4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
CID 80770074
3-[(5-bromo-6-chloropyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106257612
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80924824
4-N-(1,1-dioxothian-4-yl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80789952
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826428
6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80777757

Frequently Asked Questions

What is the IUPAC name of 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one (CID 106258631) is 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one is CCNc1ncnc(NC2CCN(C)C2=O)c1CC.
What is the InChIKey of 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is QMOIMWZCMHXDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-9-11(14-5-2)15-8-16-12(9)17-10-6-7-18(3)13(10)19/h8,10H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106258631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).