2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine

C16H25N7S — CID 34721248

IUPAC2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C16H25N7S/c1-12(14-18-15(17)20-16(19-14)21(2)3)23-7-5-22(6-8-23)10-13-4-9-24-11-13/h4,9,11-12H,5-8,10H2,1-3H3,(H2,17,18,19,20)/t12-/m0/s1
InChIKeyIGXKNFNOIMNSQV-LBPRGKRZSA-N
MW347.49 g/mol
LogP1.46
Rot. Bonds5

About 2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 34721248) has the molecular formula C16H25N7S and a molecular weight of 347.49 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID34721248
Molecular FormulaC16H25N7S
Molecular Weight347.49 g/mol
Exact Mass347.19
IUPAC Name2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C16H25N7S/c1-12(14-18-15(17)20-16(19-14)21(2)3)23-7-5-22(6-8-23)10-13-4-9-24-11-13/h4,9,11-12H,5-8,10H2,1-3H3,(H2,17,18,19,20)/t12-/m0/s1
InChIKeyIGXKNFNOIMNSQV-LBPRGKRZSA-N
XLogP1.46
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-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

2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
CID 34709904
2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
CID 78860945
2-N,2-N-dimethyl-6-[1-(4-methylpiperidin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 51281458
[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone
CID 42926045
2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80828116
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
CID 41176327
6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34700430
2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 42957779
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30731779
4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]aniline
CID 43646271
(2R)-N-(4-chlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30739497

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine (CID 34721248) is 2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine is C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is IGXKNFNOIMNSQV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N7S/c1-12(14-18-15(17)20-16(19-14)21(2)3)23-7-5-22(6-8-23)10-13-4-9-24-11-13/h4,9,11-12H,5-8,10H2,1-3H3,(H2,17,18,19,20)/t12-/m0/s1.
What are the key properties of 2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 347.49 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 34721248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).