4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine

C11H18ClN5O — CID 62870341

IUPAC4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine
SMILESCN1CCC(Oc2nc(Cl)nc(N(C)C)n2)CC1
InChIInChI=1S/C11H18ClN5O/c1-16(2)10-13-9(12)14-11(15-10)18-8-4-6-17(3)7-5-8/h8H,4-7H2,1-3H3
InChIKeyBVCLXPVKVIJVKG-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.06
Rot. Bonds3

About 4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine

4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine (PubChem CID 62870341) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine
PubChem CID62870341
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine
SMILESCN1CCC(Oc2nc(Cl)nc(N(C)C)n2)CC1
InChIInChI=1S/C11H18ClN5O/c1-16(2)10-13-9(12)14-11(15-10)18-8-4-6-17(3)7-5-8/h8H,4-7H2,1-3H3
InChIKeyBVCLXPVKVIJVKG-UHFFFAOYSA-N
XLogP1.06
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-(3,5-dimethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 64731439
4-chloro-N,N-dimethyl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 62869815
4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 114221418
3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine
CID 115000770
2-N,2-N-dimethyl-6-(4-methylcyclohexyl)oxy-1,3,5-triazine-2,4-diamine
CID 80858525
6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80873893
6-cycloheptyloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80871374
2,4-dichloro-6-(4,4-dimethylcyclohexyl)oxy-1,3,5-triazine
CID 114340984
6-(4,4-dimethylcyclohexyl)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 114342953
4-chloro-N-cyclohexyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62857510
6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine
CID 80873922
2-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine
CID 80872793

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine (CID 62870341) is 4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine is CN1CCC(Oc2nc(Cl)nc(N(C)C)n2)CC1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine?
The InChIKey is BVCLXPVKVIJVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-16(2)10-13-9(12)14-11(15-10)18-8-4-6-17(3)7-5-8/h8H,4-7H2,1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine has a molecular weight of 271.75 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62870341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).