4-chloro-N-[2-[4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-6-methyl-1,3,5-triazin-2-amine

C14H19Cl2N9 — CID 20764560

IUPAC4-chloro-N-[2-[4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(Cl)nc(NCCN2CCN(c3nc(C)nc(Cl)n3)CC2)n1
InChIInChI=1S/C14H19Cl2N9/c1-9-18-11(15)22-13(20-9)17-3-4-24-5-7-25(8-6-24)14-21-10(2)19-12(16)23-14/h3-8H2,1-2H3,(H,17,18,20,22)
InChIKeyLCLYOHAAOXEBIE-UHFFFAOYSA-N
MW384.28 g/mol
LogP1.21
Rot. Bonds5

About 4-chloro-N-[2-[4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-6-methyl-1,3,5-triazin-2-amine

4-chloro-N-[2-[4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 20764560) has the molecular formula C14H19Cl2N9 and a molecular weight of 384.28 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID20764560
Molecular FormulaC14H19Cl2N9
Molecular Weight384.28 g/mol
Exact Mass383.11
IUPAC Name4-chloro-N-[2-[4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(Cl)nc(NCCN2CCN(c3nc(C)nc(Cl)n3)CC2)n1
InChIInChI=1S/C14H19Cl2N9/c1-9-18-11(15)22-13(20-9)17-3-4-24-5-7-25(8-6-24)14-21-10(2)19-12(16)23-14/h3-8H2,1-2H3,(H,17,18,20,22)
InChIKeyLCLYOHAAOXEBIE-UHFFFAOYSA-N
XLogP1.21
TPSA95.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[2-[4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-6-methyl-1,3,5-triazin-2-amine (CID 20764560) is 4-chloro-N-[2-[4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[2-[4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[2-[4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-6-methyl-1,3,5-triazin-2-amine is Cc1nc(Cl)nc(NCCN2CCN(c3nc(C)nc(Cl)n3)CC2)n1.
What is the InChIKey of 4-chloro-N-[2-[4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is LCLYOHAAOXEBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N9/c1-9-18-11(15)22-13(20-9)17-3-4-24-5-7-25(8-6-24)14-21-10(2)19-12(16)23-14/h3-8H2,1-2H3,(H,17,18,20,22).
What are the key properties of 4-chloro-N-[2-[4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-6-methyl-1,3,5-triazin-2-amine?
4-chloro-N-[2-[4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 384.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(4-chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 20764560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).