4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine

C6H9ClN4 — CID 18729118

IUPAC4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine
SMILESCc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C6H9ClN4/c1-4-8-5(7)10-6(9-4)11(2)3/h1-3H3
InChIKeyAWAOCZPYQILHIU-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.90
Rot. Bonds1

About 4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine

4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine (PubChem CID 18729118) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is 4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine
PubChem CID18729118
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine
SMILESCc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C6H9ClN4/c1-4-8-5(7)10-6(9-4)11(2)3/h1-3H3
InChIKeyAWAOCZPYQILHIU-UHFFFAOYSA-N
XLogP0.90
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Emd-90076
CID 592622
1,3,5-Triazine, 2,4,6-trimethyl-
CID 13208
2,4-Dichloro-6-methyl-1,3,5-triazine
CID 16083
6-(chloromethyl)-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
CID 389996
4,6-Bis(dimethylamino)-1,3,5-triazine-2-carbonitrile
CID 1502246
4-Chloro-6-methyl-1,3,5-triazin-2-amine
CID 30591
N,N,4-trimethyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 32666
4-Chloro-N,6-dimethyl-1,3,5-triazin-2-amine
CID 12237262
2-Chloro-4-methyl-1,3,5-triazine
CID 20339873
N~2~,N~4~,6-Trimethyl-1,3,5-triazine-2,4-diamine
CID 16085
(4,6-Dichloro-[1,3,5]triazin-2-ylethynyl)-dimethyl-amine
CID 15403527
2-Chloro-4,6-dimethyl-1,3,5-triazine
CID 35658

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine (CID 18729118) is 4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine is Cc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine?
The InChIKey is AWAOCZPYQILHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4/c1-4-8-5(7)10-6(9-4)11(2)3/h1-3H3.
What are the key properties of 4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine?
4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine has a molecular weight of 172.62 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 18729118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).