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

C14H17Cl2N5 — CID 80784415

IUPAC6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NC(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H17Cl2N5/c1-3-7-17-13-19-12(16)20-14(21-13)18-9(2)10-5-4-6-11(15)8-10/h4-6,8-9H,3,7H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyLCGKMPTYXRDJBR-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.17
Rot. Bonds6

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

6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80784415) has the molecular formula C14H17Cl2N5 and a molecular weight of 326.23 g/mol. Its IUPAC name is 6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80784415
Molecular FormulaC14H17Cl2N5
Molecular Weight326.23 g/mol
Exact Mass325.09
IUPAC Name6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NC(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H17Cl2N5/c1-3-7-17-13-19-12(16)20-14(21-13)18-9(2)10-5-4-6-11(15)8-10/h4-6,8-9H,3,7H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyLCGKMPTYXRDJBR-UHFFFAOYSA-N
XLogP4.17
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[1-(3-chlorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802405
4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80784552
4-N-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80783654
6-chloro-2-N-[1-(2-methylphenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80783674
6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80901413
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369
6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80769646
N-[1-(3-chlorophenyl)ethyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106971201
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848823
6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80843860
6-chloro-2-N-(4-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782797

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80784415) is 6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(NC(C)c2cccc(Cl)c2)n1.
What is the InChIKey of 6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LCGKMPTYXRDJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5/c1-3-7-17-13-19-12(16)20-14(21-13)18-9(2)10-5-4-6-11(15)8-10/h4-6,8-9H,3,7H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 326.23 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80784415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).