4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine

C12H21ClN4O — CID 62868921

IUPAC4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(OC(C)(C)CC)n1
InChIInChI=1S/C12H21ClN4O/c1-6-12(4,5)18-11-15-9(13)14-10(16-11)17(7-2)8-3/h6-8H2,1-5H3
InChIKeyMQXIHODZHGXMGB-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.94
Rot. Bonds6

About 4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine

4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine (PubChem CID 62868921) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
PubChem CID62868921
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(OC(C)(C)CC)n1
InChIInChI=1S/C12H21ClN4O/c1-6-12(4,5)18-11-15-9(13)14-10(16-11)17(7-2)8-3/h6-8H2,1-5H3
InChIKeyMQXIHODZHGXMGB-UHFFFAOYSA-N
XLogP2.94
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 80862184
2-N,2-N,4-N-triethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 80861619
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
4-chloro-6-(2-methylbutan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
CID 80862183
4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104561349
4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine
CID 62870466
1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79386097
6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 62863384
4-chloro-6-(3,5-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62868606
4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 12846659
4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
CID 63504788
4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 63956305

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine (CID 62868921) is 4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(OC(C)(C)CC)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is MQXIHODZHGXMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-6-12(4,5)18-11-15-9(13)14-10(16-11)17(7-2)8-3/h6-8H2,1-5H3.
What are the key properties of 4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine has a molecular weight of 272.78 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).