2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine

C15H19Cl2N5 — CID 21348639

IUPAC2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCC(CCc1cc(Cl)ccc1Cl)Nc1nc(C)nc(N)n1
InChIInChI=1S/C15H19Cl2N5/c1-3-12(21-15-20-9(2)19-14(18)22-15)6-4-10-8-11(16)5-7-13(10)17/h5,7-8,12H,3-4,6H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyDPOZSSZFZQPBAV-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.89
Rot. Bonds6

About 2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine

2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 21348639) has the molecular formula C15H19Cl2N5 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID21348639
Molecular FormulaC15H19Cl2N5
Molecular Weight340.26 g/mol
Exact Mass339.10
IUPAC Name2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCC(CCc1cc(Cl)ccc1Cl)Nc1nc(C)nc(N)n1
InChIInChI=1S/C15H19Cl2N5/c1-3-12(21-15-20-9(2)19-14(18)22-15)6-4-10-8-11(16)5-7-13(10)17/h5,7-8,12H,3-4,6H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyDPOZSSZFZQPBAV-UHFFFAOYSA-N
XLogP3.89
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine (CID 21348639) is 2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine is CCC(CCc1cc(Cl)ccc1Cl)Nc1nc(C)nc(N)n1.
What is the InChIKey of 2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DPOZSSZFZQPBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N5/c1-3-12(21-15-20-9(2)19-14(18)22-15)6-4-10-8-11(16)5-7-13(10)17/h5,7-8,12H,3-4,6H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 340.26 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21348639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).