1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one

C13H21N5O — CID 106258791

IUPAC1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCCCc1c(NC)ncnc1NC1CCN(C)C1=O
InChIInChI=1S/C13H21N5O/c1-4-5-9-11(14-2)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)
InChIKeyCTQNBDQBCJHLIJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.11
Rot. Bonds5

About 1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one

1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one (PubChem CID 106258791) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one
PubChem CID106258791
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCCCc1c(NC)ncnc1NC1CCN(C)C1=O
InChIInChI=1S/C13H21N5O/c1-4-5-9-11(14-2)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)
InChIKeyCTQNBDQBCJHLIJ-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-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106258631
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106256817
3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258572
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106256788
3-[(6-amino-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258768
3-[(5-bromo-6-chloropyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106257612
4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80803017
4-N-(2,3-dimethylcyclopentyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80841005
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
4-N-(2,2-dimethylcyclopentyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80850168
4-N-(2,2-dimethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80850251
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 114165271

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one (CID 106258791) is 1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one is CCCc1c(NC)ncnc1NC1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is CTQNBDQBCJHLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-5-9-11(14-2)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 1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one?
1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-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 1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106258791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).