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

C16H25N7S — CID 34709904

IUPAC2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H25N7S/c1-12(14-18-15(17)20-16(19-14)21(2)3)23-8-6-22(7-9-23)11-13-5-4-10-24-13/h4-5,10,12H,6-9,11H2,1-3H3,(H2,17,18,19,20)/t12-/m0/s1
InChIKeyVMIYIGWOFUBHPF-LBPRGKRZSA-N
MW347.49 g/mol
LogP1.46
Rot. Bonds5

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

2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 34709904) 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-2-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-2-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID34709904
Molecular FormulaC16H25N7S
Molecular Weight347.49 g/mol
Exact Mass347.19
IUPAC Name2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H25N7S/c1-12(14-18-15(17)20-16(19-14)21(2)3)23-8-6-22(7-9-23)11-13-5-4-10-24-13/h4-5,10,12H,6-9,11H2,1-3H3,(H2,17,18,19,20)/t12-/m0/s1
InChIKeyVMIYIGWOFUBHPF-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

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Related Compounds

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
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
6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34600416
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,4-N,4-N-trimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 80849728
2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
CID 18124256
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
2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
CID 80872117
2-methyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]quinoxaline
CID 77085343
(3-amino-1H-1,2,4-triazol-5-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 62794354
4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol
CID 42926264

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-2-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-2-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine (CID 34709904) is 2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-2-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-2-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-2-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine is C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is VMIYIGWOFUBHPF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N7S/c1-12(14-18-15(17)20-16(19-14)21(2)3)23-8-6-22(7-9-23)11-13-5-4-10-24-13/h4-5,10,12H,6-9,11H2,1-3H3,(H2,17,18,19,20)/t12-/m0/s1.
What are the key properties of 2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-2-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-2-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 34709904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).