[2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine

C12H19N3S2 — CID 113299858

IUPAC[2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine
SMILESCCC1SCCSC1c1nc(C)cc(CN)n1
InChIInChI=1S/C12H19N3S2/c1-3-10-11(17-5-4-16-10)12-14-8(2)6-9(7-13)15-12/h6,10-11H,3-5,7,13H2,1-2H3
InChIKeyQABWGDZWTAIBLC-UHFFFAOYSA-N
MW269.44 g/mol
LogP2.54
Rot. Bonds3

About [2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine

[2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine (PubChem CID 113299858) has the molecular formula C12H19N3S2 and a molecular weight of 269.44 g/mol. Its IUPAC name is [2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine
PubChem CID113299858
Molecular FormulaC12H19N3S2
Molecular Weight269.44 g/mol
Exact Mass269.10
IUPAC Name[2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine
SMILESCCC1SCCSC1c1nc(C)cc(CN)n1
InChIInChI=1S/C12H19N3S2/c1-3-10-11(17-5-4-16-10)12-14-8(2)6-9(7-13)15-12/h6,10-11H,3-5,7,13H2,1-2H3
InChIKeyQABWGDZWTAIBLC-UHFFFAOYSA-N
XLogP2.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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)pyrimidin-4-yl]ethanamine
CID 115388842
[2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine
CID 65390143
N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 115388534
2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine
CID 113299823
3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine
CID 115385468
4-tert-butyl-6-chloro-2-(3-ethyl-1,4-dithian-2-yl)pyrimidine
CID 113299211
2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine
CID 115388526
2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 115388296
2-[3-(3-ethyl-1,4-dithian-2-yl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 115388909
4,6-dichloro-2-(3-ethyl-1,4-dithian-2-yl)-5-propan-2-ylpyrimidine
CID 115385569
N-[[2-(3-ethyl-1,4-dithian-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 115388779

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine (CID 113299858) is [2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine is CCC1SCCSC1c1nc(C)cc(CN)n1.
What is the InChIKey of [2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is QABWGDZWTAIBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S2/c1-3-10-11(17-5-4-16-10)12-14-8(2)6-9(7-13)15-12/h6,10-11H,3-5,7,13H2,1-2H3.
What are the key properties of [2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine?
[2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 269.44 g/mol, XLogP of 2.54, 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)-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 113299858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).