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

C10H15ClN6O — CID 80836534

IUPAC5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESCCNc1nc(Cl)nc(NCC2CCC(=O)N2)n1
InChIInChI=1S/C10H15ClN6O/c1-2-12-9-15-8(11)16-10(17-9)13-5-6-3-4-7(18)14-6/h6H,2-5H2,1H3,(H,14,18)(H2,12,13,15,16,17)
InChIKeyUTAHBCZWVSTXRO-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.65
Rot. Bonds5

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

5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 80836534) has the molecular formula C10H15ClN6O and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
PubChem CID80836534
Molecular FormulaC10H15ClN6O
Molecular Weight270.72 g/mol
Exact Mass270.10
IUPAC Name5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESCCNc1nc(Cl)nc(NCC2CCC(=O)N2)n1
InChIInChI=1S/C10H15ClN6O/c1-2-12-9-15-8(11)16-10(17-9)13-5-6-3-4-7(18)14-6/h6H,2-5H2,1H3,(H,14,18)(H2,12,13,15,16,17)
InChIKeyUTAHBCZWVSTXRO-UHFFFAOYSA-N
XLogP0.65
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one
CID 80837875
5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80823542
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80837147
5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80836843
5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80837054
5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one
CID 114448549
6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811730
5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 103328236
5-[[(4-amino-6-bromopyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 116796036

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one (CID 80836534) is 5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one is CCNc1nc(Cl)nc(NCC2CCC(=O)N2)n1.
What is the InChIKey of 5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is UTAHBCZWVSTXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6O/c1-2-12-9-15-8(11)16-10(17-9)13-5-6-3-4-7(18)14-6/h6H,2-5H2,1H3,(H,14,18)(H2,12,13,15,16,17).
What are the key properties of 5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one?
5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 270.72 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 80836534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).