6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine

C14H17Cl2N5 — CID 80809006

IUPAC6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(N(C)C(C)c2ccccc2Cl)n1
InChIInChI=1S/C14H17Cl2N5/c1-4-17-13-18-12(16)19-14(20-13)21(3)9(2)10-7-5-6-8-11(10)15/h5-9H,4H2,1-3H3,(H,17,18,19,20)
InChIKeySXSBJDADTGJYHC-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.81
Rot. Bonds5

About 6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80809006) has the molecular formula C14H17Cl2N5 and a molecular weight of 326.23 g/mol. Its IUPAC name is 6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80809006
Molecular FormulaC14H17Cl2N5
Molecular Weight326.23 g/mol
Exact Mass325.09
IUPAC Name6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(N(C)C(C)c2ccccc2Cl)n1
InChIInChI=1S/C14H17Cl2N5/c1-4-17-13-18-12(16)19-14(20-13)21(3)9(2)10-7-5-6-8-11(10)15/h5-9H,4H2,1-3H3,(H,17,18,19,20)
InChIKeySXSBJDADTGJYHC-UHFFFAOYSA-N
XLogP3.81
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80809188
6-chloro-4-N-ethyl-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792082
6-chloro-2-N-[(2-chlorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80786435
6-chloro-4-N-ethyl-2-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80796350
5-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrimidin-2-amine
CID 113387953
6-chloro-2-N-ethoxy-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 163693056
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine
CID 104592104
3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile
CID 80811299
4-chloro-N-[1-(2-fluorophenyl)ethyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62983717

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 80809006) is 6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(N(C)C(C)c2ccccc2Cl)n1.
What is the InChIKey of 6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SXSBJDADTGJYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5/c1-4-17-13-18-12(16)19-14(20-13)21(3)9(2)10-7-5-6-8-11(10)15/h5-9H,4H2,1-3H3,(H,17,18,19,20).
What are the key properties of 6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 326.23 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80809006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).