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

C10H16N6O2 — CID 106258670

IUPAC3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one
SMILESCNc1nc(NC2CCN(C)C2=O)nc(OC)n1
InChIInChI=1S/C10H16N6O2/c1-11-8-13-9(15-10(14-8)18-3)12-6-4-5-16(2)7(6)17/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyPSCOKHBDFRKVEP-UHFFFAOYSA-N
MW252.28 g/mol
LogP-0.44
Rot. Bonds4

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

3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one (PubChem CID 106258670) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one
PubChem CID106258670
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one
SMILESCNc1nc(NC2CCN(C)C2=O)nc(OC)n1
InChIInChI=1S/C10H16N6O2/c1-11-8-13-9(15-10(14-8)18-3)12-6-4-5-16(2)7(6)17/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyPSCOKHBDFRKVEP-UHFFFAOYSA-N
XLogP-0.44
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one
CID 106258794
3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one
CID 137336667
(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
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one
CID 106258566
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80807429
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 114165256
3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one
CID 45229761
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile
CID 106256187
1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one
CID 113341915
[2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol
CID 106368227

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one (CID 106258670) is 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one is CNc1nc(NC2CCN(C)C2=O)nc(OC)n1.
What is the InChIKey of 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is PSCOKHBDFRKVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-11-8-13-9(15-10(14-8)18-3)12-6-4-5-16(2)7(6)17/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one?
3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 252.28 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106258670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).