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

C13H18BrN5S — CID 22090905

IUPAC2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCC(CCc1ccc(Br)s1)Nc1nc(C)nc(N)n1
InChIInChI=1S/C13H18BrN5S/c1-3-9(4-5-10-6-7-11(14)20-10)18-13-17-8(2)16-12(15)19-13/h6-7,9H,3-5H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyJNXHOUDNFZQRDH-UHFFFAOYSA-N
MW356.29 g/mol
LogP3.41
Rot. Bonds6

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

2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 22090905) has the molecular formula C13H18BrN5S and a molecular weight of 356.29 g/mol. Its IUPAC name is 2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID22090905
Molecular FormulaC13H18BrN5S
Molecular Weight356.29 g/mol
Exact Mass355.05
IUPAC Name2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCC(CCc1ccc(Br)s1)Nc1nc(C)nc(N)n1
InChIInChI=1S/C13H18BrN5S/c1-3-9(4-5-10-6-7-11(14)20-10)18-13-17-8(2)16-12(15)19-13/h6-7,9H,3-5H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyJNXHOUDNFZQRDH-UHFFFAOYSA-N
XLogP3.41
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 22090984
2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 21348651
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
6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 21348568
6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine
CID 22090865
ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 91072276
2-N-[1-(4-ethylsulfanylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22965426
2-N-[4-(2,5-dichlorothiophen-3-yl)butan-2-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22090881
3-[2-(5-bromothiophen-2-yl)ethylamino]pentanenitrile
CID 106047119
4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine
CID 114139836
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119276581

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine (CID 22090905) is 2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine is CCC(CCc1ccc(Br)s1)Nc1nc(C)nc(N)n1.
What is the InChIKey of 2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JNXHOUDNFZQRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5S/c1-3-9(4-5-10-6-7-11(14)20-10)18-13-17-8(2)16-12(15)19-13/h6-7,9H,3-5H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 356.29 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(5-bromothiophen-2-yl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22090905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).