2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine

C12H21ClN6O — CID 62888888

IUPAC2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCOc1nc(Cl)nc(N2CCN(CCN(C)C)CC2)n1
InChIInChI=1S/C12H21ClN6O/c1-17(2)4-5-18-6-8-19(9-7-18)11-14-10(13)15-12(16-11)20-3/h4-9H2,1-3H3
InChIKeyKHJIREUJMXDBPO-UHFFFAOYSA-N
MW300.79 g/mol
LogP0.22
Rot. Bonds5

About 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine

2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 62888888) has the molecular formula C12H21ClN6O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID62888888
Molecular FormulaC12H21ClN6O
Molecular Weight300.79 g/mol
Exact Mass300.15
IUPAC Name2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCOc1nc(Cl)nc(N2CCN(CCN(C)C)CC2)n1
InChIInChI=1S/C12H21ClN6O/c1-17(2)4-5-18-6-8-19(9-7-18)11-14-10(13)15-12(16-11)20-3/h4-9H2,1-3H3
InChIKeyKHJIREUJMXDBPO-UHFFFAOYSA-N
XLogP0.22
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 80825081
2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine
CID 62970401
1-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-1-yl]ethanone
CID 55124643
2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 62869517
2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011987
1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine
CID 63595725
2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine
CID 62869646
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride
CID 173009515
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 63124102
2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine
CID 148646907
4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-dimethylmorpholine
CID 55124122
2-chloro-4-methoxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3,5-triazine
CID 107394056

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine (CID 62888888) is 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine is COc1nc(Cl)nc(N2CCN(CCN(C)C)CC2)n1.
What is the InChIKey of 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is KHJIREUJMXDBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN6O/c1-17(2)4-5-18-6-8-19(9-7-18)11-14-10(13)15-12(16-11)20-3/h4-9H2,1-3H3.
What are the key properties of 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 300.79 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 62888888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).