6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine

C15H20ClN5 — CID 62988752

IUPAC6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCC(CCNc1nc(Cl)nc(N(C)C)n1)c1ccccc1
InChIInChI=1S/C15H20ClN5/c1-11(12-7-5-4-6-8-12)9-10-17-14-18-13(16)19-15(20-14)21(2)3/h4-8,11H,9-10H2,1-3H3,(H,17,18,19,20)
InChIKeyBGADOTGVQCKQET-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.20
Rot. Bonds6

About 6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62988752) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine
PubChem CID62988752
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCC(CCNc1nc(Cl)nc(N(C)C)n1)c1ccccc1
InChIInChI=1S/C15H20ClN5/c1-11(12-7-5-4-6-8-12)9-10-17-14-18-13(16)19-15(20-14)21(2)3/h4-8,11H,9-10H2,1-3H3,(H,17,18,19,20)
InChIKeyBGADOTGVQCKQET-UHFFFAOYSA-N
XLogP3.20
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-N'-(tert-butyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 778757
1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-phenylethyl)-
CID 183316
6-Chloro-N-ethyl-N-((1R)-1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 184137
1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-phenylethyl)-, (S)-
CID 184138
2-N-tert-butyl-4-N-[(2,6-dimethylphenyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 44525617
n2,n4-Bis(4-fluorophenethyl)-n6-(3-(dimethylamino)propyl)-1,3,5-triazine-2,4,6-triamine
CID 56643402
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56646927
6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56647584
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
CID 56647766
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(2-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56647770
6-chloro-4-N-[(1S)-1-phenylethyl]-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 76312524
6-chloro-4-N-methyl-2-N-[(1R)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 76316032

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine (CID 62988752) is 6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine is CC(CCNc1nc(Cl)nc(N(C)C)n1)c1ccccc1.
What is the InChIKey of 6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BGADOTGVQCKQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-11(12-7-5-4-6-8-12)9-10-17-14-18-13(16)19-15(20-14)21(2)3/h4-8,11H,9-10H2,1-3H3,(H,17,18,19,20).
What are the key properties of 6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 305.81 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62988752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).