4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine

C11H19ClN6 — CID 80833964

IUPAC4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C11H19ClN6/c1-11(2)7-18(6-5-17(11)4)10-15-8(12)14-9(13-3)16-10/h5-7H2,1-4H3,(H,13,14,15,16)
InChIKeyZXASDTIHKNWAPH-UHFFFAOYSA-N
MW270.77 g/mol
LogP1.10
Rot. Bonds2

About 4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine

4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80833964) has the molecular formula C11H19ClN6 and a molecular weight of 270.77 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID80833964
Molecular FormulaC11H19ClN6
Molecular Weight270.77 g/mol
Exact Mass270.14
IUPAC Name4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C11H19ClN6/c1-11(2)7-18(6-5-17(11)4)10-15-8(12)14-9(13-3)16-10/h5-7H2,1-4H3,(H,13,14,15,16)
InChIKeyZXASDTIHKNWAPH-UHFFFAOYSA-N
XLogP1.10
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 20647596
4-chloro-N-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 102746663
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107824
4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80793568
5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine
CID 80834036
4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80831513
1-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanone
CID 80820474
4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 80825081
[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114782719
4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80816942
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-5-one
CID 80831100
4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one
CID 80834181

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 80833964) is 4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(N2CCN(C)C(C)(C)C2)n1.
What is the InChIKey of 4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is ZXASDTIHKNWAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6/c1-11(2)7-18(6-5-17(11)4)10-15-8(12)14-9(13-3)16-10/h5-7H2,1-4H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 270.77 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80833964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).