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

C12H22N6S — CID 80782701

IUPAC2-N,2-N-diethyl-4-N-methyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(N(C)C2CCSC2)n1
InChIInChI=1S/C12H22N6S/c1-4-18(5-2)12-15-10(13)14-11(16-12)17(3)9-6-7-19-8-9/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyNTPYGMQWGOCIQY-UHFFFAOYSA-N
MW282.42 g/mol
LogP1.24
Rot. Bonds5

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

2-N,2-N-diethyl-4-N-methyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80782701) has the molecular formula C12H22N6S and a molecular weight of 282.42 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-methyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-methyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80782701
Molecular FormulaC12H22N6S
Molecular Weight282.42 g/mol
Exact Mass282.16
IUPAC Name2-N,2-N-diethyl-4-N-methyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(N(C)C2CCSC2)n1
InChIInChI=1S/C12H22N6S/c1-4-18(5-2)12-15-10(13)14-11(16-12)17(3)9-6-7-19-8-9/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyNTPYGMQWGOCIQY-UHFFFAOYSA-N
XLogP1.24
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-methyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-methyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine (CID 80782701) is 2-N,2-N-diethyl-4-N-methyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-methyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-methyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(N(C)C2CCSC2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-methyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NTPYGMQWGOCIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6S/c1-4-18(5-2)12-15-10(13)14-11(16-12)17(3)9-6-7-19-8-9/h9H,4-8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-N,2-N-diethyl-4-N-methyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-methyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 282.42 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-methyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80782701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).