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

C10H17N7O — CID 106258566

IUPAC3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2nc(N)nc(N(C)C)n2)C1=O
InChIInChI=1S/C10H17N7O/c1-16(2)10-14-8(11)13-9(15-10)12-6-4-5-17(3)7(6)18/h6H,4-5H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyTVPMULWOCYVKDE-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.84
Rot. Bonds3

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

3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one (PubChem CID 106258566) has the molecular formula C10H17N7O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one
PubChem CID106258566
Molecular FormulaC10H17N7O
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2nc(N)nc(N(C)C)n2)C1=O
InChIInChI=1S/C10H17N7O/c1-16(2)10-14-8(11)13-9(15-10)12-6-4-5-17(3)7(6)18/h6H,4-5H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyTVPMULWOCYVKDE-UHFFFAOYSA-N
XLogP-0.84
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one (CID 106258566) is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one is CN1CCC(Nc2nc(N)nc(N(C)C)n2)C1=O.
What is the InChIKey of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is TVPMULWOCYVKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O/c1-16(2)10-14-8(11)13-9(15-10)12-6-4-5-17(3)7(6)18/h6H,4-5H2,1-3H3,(H3,11,12,13,14,15).
What are the key properties of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one?
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 251.29 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106258566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).