2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine

C13H21N7S — CID 80783065

IUPAC2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NC)nc(NCc2cnc(C)s2)n1
InChIInChI=1S/C13H21N7S/c1-5-20(6-2)13-18-11(14-4)17-12(19-13)16-8-10-7-15-9(3)21-10/h7H,5-6,8H2,1-4H3,(H2,14,16,17,18,19)
InChIKeyNNICTTQMRMKVAB-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.14
Rot. Bonds7

About 2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 80783065) has the molecular formula C13H21N7S and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID80783065
Molecular FormulaC13H21N7S
Molecular Weight307.43 g/mol
Exact Mass307.16
IUPAC Name2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NC)nc(NCc2cnc(C)s2)n1
InChIInChI=1S/C13H21N7S/c1-5-20(6-2)13-18-11(14-4)17-12(19-13)16-8-10-7-15-9(3)21-10/h7H,5-6,8H2,1-4H3,(H2,14,16,17,18,19)
InChIKeyNNICTTQMRMKVAB-UHFFFAOYSA-N
XLogP2.14
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326140
2-N,2-N-diethyl-6-N-methyl-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80773355
4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 112637077
1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine
CID 62139521
2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80883010
4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80768855
2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80833360
2-N,2-N-diethyl-4-N-(2-methoxyethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80766275
4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 106015228
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80829137
2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80783182

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 80783065) is 2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(NC)nc(NCc2cnc(C)s2)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NNICTTQMRMKVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7S/c1-5-20(6-2)13-18-11(14-4)17-12(19-13)16-8-10-7-15-9(3)21-10/h7H,5-6,8H2,1-4H3,(H2,14,16,17,18,19).
What are the key properties of 2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 307.43 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80783065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).