2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine

C13H21N3S2 — CID 115388526

IUPAC2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCCC1SCCSC1c1nc(C)c(C)c(NC)n1
InChIInChI=1S/C13H21N3S2/c1-5-10-11(18-7-6-17-10)13-15-9(3)8(2)12(14-4)16-13/h10-11H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyTVKHAALQQADEGQ-UHFFFAOYSA-N
MW283.47 g/mol
LogP3.43
Rot. Bonds3

About 2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine

2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine (PubChem CID 115388526) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is 2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine
PubChem CID115388526
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC Name2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCCC1SCCSC1c1nc(C)c(C)c(NC)n1
InChIInChI=1S/C13H21N3S2/c1-5-10-11(18-7-6-17-10)13-15-9(3)8(2)12(14-4)16-13/h10-11H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyTVKHAALQQADEGQ-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-amine
CID 115388571
2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine
CID 113299823
2-(3-ethyl-1,4-dithian-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 115388443
2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 115388296
2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 115388859
2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 115388303
[2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine
CID 113299858
2-(3-ethyl-1,4-dithian-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136967205
2-(3-ethylcyclohexyl)-N,5,6-trimethylpyrimidin-4-amine
CID 65413620
4,6-dichloro-2-(3-ethyl-1,4-dithian-2-yl)-5-propan-2-ylpyrimidine
CID 115385569
3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine
CID 115385468
N-[[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 113299158

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine (CID 115388526) is 2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine is CCC1SCCSC1c1nc(C)c(C)c(NC)n1.
What is the InChIKey of 2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine?
The InChIKey is TVKHAALQQADEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S2/c1-5-10-11(18-7-6-17-10)13-15-9(3)8(2)12(14-4)16-13/h10-11H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine?
2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine has a molecular weight of 283.47 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 115388526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).