5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one

C8H11ClN6O — CID 80837875

IUPAC5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one
SMILESNc1nc(Cl)nc(NCC2CCC(=O)N2)n1
InChIInChI=1S/C8H11ClN6O/c9-6-13-7(10)15-8(14-6)11-3-4-1-2-5(16)12-4/h4H,1-3H2,(H,12,16)(H3,10,11,13,14,15)
InChIKeyFLLSEAGFDOWCGW-UHFFFAOYSA-N
MW242.67 g/mol
LogP-0.20
Rot. Bonds3

About 5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one

5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 80837875) has the molecular formula C8H11ClN6O and a molecular weight of 242.67 g/mol. Its IUPAC name is 5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one
PubChem CID80837875
Molecular FormulaC8H11ClN6O
Molecular Weight242.67 g/mol
Exact Mass242.07
IUPAC Name5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one
SMILESNc1nc(Cl)nc(NCC2CCC(=O)N2)n1
InChIInChI=1S/C8H11ClN6O/c9-6-13-7(10)15-8(14-6)11-3-4-1-2-5(16)12-4/h4H,1-3H2,(H,12,16)(H3,10,11,13,14,15)
InChIKeyFLLSEAGFDOWCGW-UHFFFAOYSA-N
XLogP-0.20
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80836534
5-[[(4-amino-6-bromopyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 116796036
6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80790390
5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one
CID 114448549
5-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 80917435
5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 79073907
5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 112691898
5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one
CID 80909185
5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80823542
5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80837784
2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 80790072
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide
CID 80792553

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one (CID 80837875) is 5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one is Nc1nc(Cl)nc(NCC2CCC(=O)N2)n1.
What is the InChIKey of 5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is FLLSEAGFDOWCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN6O/c9-6-13-7(10)15-8(14-6)11-3-4-1-2-5(16)12-4/h4H,1-3H2,(H,12,16)(H3,10,11,13,14,15).
What are the key properties of 5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one?
5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 242.67 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 80837875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).