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

C14H18ClN5 — CID 80817982

IUPAC6-chloro-2-N,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(N(CC)c2ccc(C)cc2)n1
InChIInChI=1S/C14H18ClN5/c1-4-16-13-17-12(15)18-14(19-13)20(5-2)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyAIRNACVMRAGGRF-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.42
Rot. Bonds5

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

6-chloro-2-N,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80817982) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID80817982
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name6-chloro-2-N,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(N(CC)c2ccc(C)cc2)n1
InChIInChI=1S/C14H18ClN5/c1-4-16-13-17-12(15)18-14(19-13)20(5-2)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyAIRNACVMRAGGRF-UHFFFAOYSA-N
XLogP3.42
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80817817
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-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 62863713
6-chloro-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799671
6-chloro-4-N-ethyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80781663
6-chloro-4-N-ethyl-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792082
6-chloro-4-N-ethyl-2-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80796350
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine
CID 115474047

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 80817982) is 6-chloro-2-N,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(N(CC)c2ccc(C)cc2)n1.
What is the InChIKey of 6-chloro-2-N,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is AIRNACVMRAGGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-4-16-13-17-12(15)18-14(19-13)20(5-2)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3,(H,16,17,18,19).
What are the key properties of 6-chloro-2-N,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 291.79 g/mol, XLogP of 3.42, 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,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80817982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).