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

C12H22ClN7 — CID 80825081

IUPAC4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCN(CCN(C)C)CC2)n1
InChIInChI=1S/C12H22ClN7/c1-14-11-15-10(13)16-12(17-11)20-8-6-19(7-9-20)5-4-18(2)3/h4-9H2,1-3H3,(H,14,15,16,17)
InChIKeyROJUBSCEWHDXDU-UHFFFAOYSA-N
MW299.81 g/mol
LogP0.25
Rot. Bonds5

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

4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80825081) has the molecular formula C12H22ClN7 and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
PubChem CID80825081
Molecular FormulaC12H22ClN7
Molecular Weight299.81 g/mol
Exact Mass299.16
IUPAC Name4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCN(CCN(C)C)CC2)n1
InChIInChI=1S/C12H22ClN7/c1-14-11-15-10(13)16-12(17-11)20-8-6-19(7-9-20)5-4-18(2)3/h4-9H2,1-3H3,(H,14,15,16,17)
InChIKeyROJUBSCEWHDXDU-UHFFFAOYSA-N
XLogP0.25
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine (CID 80825081) is 4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(N2CCN(CCN(C)C)CC2)n1.
What is the InChIKey of 4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is ROJUBSCEWHDXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN7/c1-14-11-15-10(13)16-12(17-11)20-8-6-19(7-9-20)5-4-18(2)3/h4-9H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 299.81 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80825081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).