6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

C14H17Cl2N5 — CID 66255962

IUPAC6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(Nc2c(C)cccc2Cl)n1
InChIInChI=1S/C14H17Cl2N5/c1-4-21(5-2)14-19-12(16)18-13(20-14)17-11-9(3)7-6-8-10(11)15/h6-8H,4-5H2,1-3H3,(H,17,18,19,20)
InChIKeyCPXHLRWRJIOKPN-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.08
Rot. Bonds5

About 6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 66255962) has the molecular formula C14H17Cl2N5 and a molecular weight of 326.23 g/mol. Its IUPAC name is 6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID66255962
Molecular FormulaC14H17Cl2N5
Molecular Weight326.23 g/mol
Exact Mass325.09
IUPAC Name6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(Nc2c(C)cccc2Cl)n1
InChIInChI=1S/C14H17Cl2N5/c1-4-21(5-2)14-19-12(16)18-13(20-14)17-11-9(3)7-6-8-10(11)15/h6-8H,4-5H2,1-3H3,(H,17,18,19,20)
InChIKeyCPXHLRWRJIOKPN-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (CID 66255962) is 6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(Nc2c(C)cccc2Cl)n1.
What is the InChIKey of 6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CPXHLRWRJIOKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5/c1-4-21(5-2)14-19-12(16)18-13(20-14)17-11-9(3)7-6-8-10(11)15/h6-8H,4-5H2,1-3H3,(H,17,18,19,20).
What are the key properties of 6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 326.23 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66255962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).