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

C13H26ClN7 — CID 71408953

IUPAC6-chloro-2-N,4-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCCNc1nc(Cl)nc(NCCCN(C)C)n1
InChIInChI=1S/C13H26ClN7/c1-20(2)9-5-7-15-12-17-11(14)18-13(19-12)16-8-6-10-21(3)4/h5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyDKTDTMIIOMRCGF-UHFFFAOYSA-N
MW315.85 g/mol
LogP1.25
Rot. Bonds10

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

6-chloro-2-N,4-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4-diamine (PubChem CID 71408953) has the molecular formula C13H26ClN7 and a molecular weight of 315.85 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4-diamine
PubChem CID71408953
Molecular FormulaC13H26ClN7
Molecular Weight315.85 g/mol
Exact Mass315.19
IUPAC Name6-chloro-2-N,4-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCCNc1nc(Cl)nc(NCCCN(C)C)n1
InChIInChI=1S/C13H26ClN7/c1-20(2)9-5-7-15-12-17-11(14)18-13(19-12)16-8-6-10-21(3)4/h5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyDKTDTMIIOMRCGF-UHFFFAOYSA-N
XLogP1.25
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Simazine
CID 5216
Terbuthylazine
CID 22206
Atrazine
CID 2256
Propazine
CID 4937
Deisopropylatrazine
CID 13878
Deethylatrazine
CID 22563
Cyprazine
CID 24738
Sebuthylazine
CID 23712
Trietazine
CID 15951
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-methyl-N4-(1-methylethyl)-
CID 18153
N-(4,6-Bis((1-methylethyl)amino)-1,3,5-triazin-2-yl)-N-methylcyanamide
CID 49968
Heptazine
CID 15950

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4-diamine (CID 71408953) is 6-chloro-2-N,4-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4-diamine is CN(C)CCCNc1nc(Cl)nc(NCCCN(C)C)n1.
What is the InChIKey of 6-chloro-2-N,4-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is DKTDTMIIOMRCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClN7/c1-20(2)9-5-7-15-12-17-11(14)18-13(19-12)16-8-6-10-21(3)4/h5-10H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-2-N,4-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 315.85 g/mol, XLogP of 1.25, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 71408953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).