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

C12H16Cl2N10 — CID 20647596

IUPAC4-chloro-6-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCN(c3nc(Cl)nc(NC)n3)CC2)n1
InChIInChI=1S/C12H16Cl2N10/c1-15-9-17-7(13)19-11(21-9)23-3-5-24(6-4-23)12-20-8(14)18-10(16-2)22-12/h3-6H2,1-2H3,(H,15,17,19,21)(H,16,18,20,22)
InChIKeyNWEJOWBOQPNFFR-UHFFFAOYSA-N
MW371.24 g/mol
LogP0.77
Rot. Bonds4

About 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

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 (PubChem CID 20647596) has the molecular formula C12H16Cl2N10 and a molecular weight of 371.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-chloro-6-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
PubChem CID20647596
Molecular FormulaC12H16Cl2N10
Molecular Weight371.24 g/mol
Exact Mass370.09
IUPAC Name4-chloro-6-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCN(c3nc(Cl)nc(NC)n3)CC2)n1
InChIInChI=1S/C12H16Cl2N10/c1-15-9-17-7(13)19-11(21-9)23-3-5-24(6-4-23)12-20-8(14)18-10(16-2)22-12/h3-6H2,1-2H3,(H,15,17,19,21)(H,16,18,20,22)
InChIKeyNWEJOWBOQPNFFR-UHFFFAOYSA-N
XLogP0.77
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80793568
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107824
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-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80833964
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-5-one
CID 80831100
4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80837933
4-chloro-N-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 102746663
N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide
CID 102737118
2,4-dichloro-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazine
CID 62868716
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 80826625

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1nc(Cl)nc(N2CCN(c3nc(Cl)nc(NC)n3)CC2)n1.
What is the InChIKey of 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?
The InChIKey is NWEJOWBOQPNFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N10/c1-15-9-17-7(13)19-11(21-9)23-3-5-24(6-4-23)12-20-8(14)18-10(16-2)22-12/h3-6H2,1-2H3,(H,15,17,19,21)(H,16,18,20,22).
What are the key properties of 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?
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 has a molecular weight of 371.24 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 20647596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).