2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine

C13H21N7S — CID 80790537

IUPAC2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(N(C)C)nc(N(C)Cc2cscn2)n1
InChIInChI=1S/C13H21N7S/c1-5-6-14-11-16-12(19(2)3)18-13(17-11)20(4)7-10-8-21-9-15-10/h8-9H,5-7H2,1-4H3,(H,14,16,17,18)
InChIKeyZOSUKJFCSWRXER-UHFFFAOYSA-N
MW307.43 g/mol
LogP1.85
Rot. Bonds7

About 2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80790537) has the molecular formula C13H21N7S and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80790537
Molecular FormulaC13H21N7S
Molecular Weight307.43 g/mol
Exact Mass307.16
IUPAC Name2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(N(C)C)nc(N(C)Cc2cscn2)n1
InChIInChI=1S/C13H21N7S/c1-5-6-14-11-16-12(19(2)3)18-13(17-11)20(4)7-10-8-21-9-15-10/h8-9H,5-7H2,1-4H3,(H,14,16,17,18)
InChIKeyZOSUKJFCSWRXER-UHFFFAOYSA-N
XLogP1.85
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80845861
2-N-(2-methoxyethyl)-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80795524
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80814611
6-chloro-2-N-methyl-4-N-propyl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80786890
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
2-N-ethyl-4-N,4-N-dimethyl-2-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 80774261
5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
CID 104841516
6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 116796517
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
4-N-cyclohexyl-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80766155

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine (CID 80790537) is 2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine is CCCNc1nc(N(C)C)nc(N(C)Cc2cscn2)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZOSUKJFCSWRXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7S/c1-5-6-14-11-16-12(19(2)3)18-13(17-11)20(4)7-10-8-21-9-15-10/h8-9H,5-7H2,1-4H3,(H,14,16,17,18).
What are the key properties of 2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 307.43 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80790537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).