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

C17H25N5 — CID 21348651

IUPAC2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCC(CCc1ccc(C)c(C)c1)Nc1nc(C)nc(N)n1
InChIInChI=1S/C17H25N5/c1-5-15(21-17-20-13(4)19-16(18)22-17)9-8-14-7-6-11(2)12(3)10-14/h6-7,10,15H,5,8-9H2,1-4H3,(H3,18,19,20,21,22)
InChIKeyGTPUAUQRGFDPJV-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.20
Rot. Bonds6

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

2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 21348651) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID21348651
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCC(CCc1ccc(C)c(C)c1)Nc1nc(C)nc(N)n1
InChIInChI=1S/C17H25N5/c1-5-15(21-17-20-13(4)19-16(18)22-17)9-8-14-7-6-11(2)12(3)10-14/h6-7,10,15H,5,8-9H2,1-4H3,(H3,18,19,20,21,22)
InChIKeyGTPUAUQRGFDPJV-UHFFFAOYSA-N
XLogP3.20
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 21348659
6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine
CID 21348603
2-N-[1-(2,5-dichlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 21348639
ethyl 2-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]pentyl]benzoate
CID 21348582
ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 91072276
6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 21348568
4-(3-bromopentyl)-1,2-dimethylbenzene
CID 63472190
4-chloro-N-(1-phenylpentan-3-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine;2-N-(1-phenylpentan-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 169424124
6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine
CID 21348569
(2S)-4-(3,4-dimethylphenyl)butan-2-amine
CID 42077524
methyl 2-[2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]butoxymethyl]benzoate
CID 21349336
6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine
CID 22090865

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine (CID 21348651) is 2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine is CCC(CCc1ccc(C)c(C)c1)Nc1nc(C)nc(N)n1.
What is the InChIKey of 2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GTPUAUQRGFDPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-5-15(21-17-20-13(4)19-16(18)22-17)9-8-14-7-6-11(2)12(3)10-14/h6-7,10,15H,5,8-9H2,1-4H3,(H3,18,19,20,21,22).
What are the key properties of 2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 299.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21348651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).