6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide

C15H24BrN5O — CID 134120413

IUPAC6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.CC(CCc1ccccc1)ON1C(N)=NC(N)=NC1(C)C
InChIInChI=1S/C15H23N5O.BrH/c1-11(9-10-12-7-5-4-6-8-12)21-20-14(17)18-13(16)19-15(20,2)3;/h4-8,11H,9-10H2,1-3H3,(H4,16,17,18,19);1H
InChIKeyBWPSAKQNMVHRNE-UHFFFAOYSA-N
MW370.30 g/mol
LogP2.20
Rot. Bonds5

About 6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide

6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide (PubChem CID 134120413) has the molecular formula C15H24BrN5O and a molecular weight of 370.30 g/mol. Its IUPAC name is 6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide.

Molecular Properties

Compound Name6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide
PubChem CID134120413
Molecular FormulaC15H24BrN5O
Molecular Weight370.30 g/mol
Exact Mass369.12
IUPAC Name6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.CC(CCc1ccccc1)ON1C(N)=NC(N)=NC1(C)C
InChIInChI=1S/C15H23N5O.BrH/c1-11(9-10-12-7-5-4-6-8-12)21-20-14(17)18-13(16)19-15(20,2)3;/h4-8,11H,9-10H2,1-3H3,(H4,16,17,18,19);1H
InChIKeyBWPSAKQNMVHRNE-UHFFFAOYSA-N
XLogP2.20
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide with MolForge

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Related Compounds

6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134114490
6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine
CID 134107004
4-phenylbutan-2-yl sulfamate
CID 24761702
ethene;3-methylbutylbenzene
CID 145421013
(2S)-4-phenylbutan-2-amine
CID 6994564
4-phenylbutan-2-ylhydrazine
CID 28622
N'-[[4-(4-phenylbutan-2-yloxy)phenyl]methyl]propane-1,3-diamine
CID 149251482
1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 66765108
4-phenyl-N-phenylmethoxybutan-2-amine
CID 82709894
3,4-dimethylhexylbenzene
CID 72602417
4-methoxy-3-(4-phenylbutan-2-yloxy)aniline
CID 70162842
(2R)-4-phenylbutane-2-thiol
CID 28974861

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide?
The IUPAC name of 6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide (CID 134120413) is 6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide.
What is the SMILES notation for 6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide?
The canonical SMILES for 6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide is Br.CC(CCc1ccccc1)ON1C(N)=NC(N)=NC1(C)C.
What is the InChIKey of 6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide?
The InChIKey is BWPSAKQNMVHRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O.BrH/c1-11(9-10-12-7-5-4-6-8-12)21-20-14(17)18-13(16)19-15(20,2)3;/h4-8,11H,9-10H2,1-3H3,(H4,16,17,18,19);1H.
What are the key properties of 6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide?
6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide has a molecular weight of 370.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide is sourced from PubChem (CID 134120413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).