3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one

C13H23N7O — CID 106258794

IUPAC3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one
SMILESCCN(CC)c1nc(NC)nc(NC2CCN(C)C2=O)n1
InChIInChI=1S/C13H23N7O/c1-5-20(6-2)13-17-11(14-3)16-12(18-13)15-9-7-8-19(4)10(9)21/h9H,5-8H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyCXVNZRCWCFMBOR-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.40
Rot. Bonds6

About 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one

3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one (PubChem CID 106258794) has the molecular formula C13H23N7O and a molecular weight of 293.38 g/mol. Its IUPAC name is 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one
PubChem CID106258794
Molecular FormulaC13H23N7O
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Name3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one
SMILESCCN(CC)c1nc(NC)nc(NC2CCN(C)C2=O)n1
InChIInChI=1S/C13H23N7O/c1-5-20(6-2)13-17-11(14-3)16-12(18-13)15-9-7-8-19(4)10(9)21/h9H,5-8H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyCXVNZRCWCFMBOR-UHFFFAOYSA-N
XLogP0.40
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one with MolForge

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Related Compounds

3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one
CID 106258670
2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 80772562
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one
CID 106258566
4-N-(2-cyclopropylethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80847463
(3S)-1-methyl-3-[[2-[[(3S)-1-methyl-2-oxopyrrolidin-3-yl]amino]-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 97318487
(3R)-1-methyl-3-[[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 97318486
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128
4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80768855
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 114165256
4-N-(cyclopentylmethyl)-2-N,2-N-diethyl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816084
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 114165271
1-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-5-one
CID 80809932

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one (CID 106258794) is 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one is CCN(CC)c1nc(NC)nc(NC2CCN(C)C2=O)n1.
What is the InChIKey of 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is CXVNZRCWCFMBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c1-5-20(6-2)13-17-11(14-3)16-12(18-13)15-9-7-8-19(4)10(9)21/h9H,5-8H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one?
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 293.38 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106258794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).