2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

C15H25N3S2 — CID 115388859

IUPAC2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCCC1SCCSC1c1nc(C)c(C(C)CN)c(C)n1
InChIInChI=1S/C15H25N3S2/c1-5-12-14(20-7-6-19-12)15-17-10(3)13(9(2)8-16)11(4)18-15/h9,12,14H,5-8,16H2,1-4H3
InChIKeyRHDQRKIELFKKJC-UHFFFAOYSA-N
MW311.52 g/mol
LogP3.46
Rot. Bonds4

About 2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (PubChem CID 115388859) has the molecular formula C15H25N3S2 and a molecular weight of 311.52 g/mol. Its IUPAC name is 2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
PubChem CID115388859
Molecular FormulaC15H25N3S2
Molecular Weight311.52 g/mol
Exact Mass311.15
IUPAC Name2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCCC1SCCSC1c1nc(C)c(C(C)CN)c(C)n1
InChIInChI=1S/C15H25N3S2/c1-5-12-14(20-7-6-19-12)15-17-10(3)13(9(2)8-16)11(4)18-15/h9,12,14H,5-8,16H2,1-4H3
InChIKeyRHDQRKIELFKKJC-UHFFFAOYSA-N
XLogP3.46
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)-5-fluoro-6-methylpyrimidin-4-amine
CID 113299823
[2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine
CID 113299858
4,6-dichloro-2-(3-ethyl-1,4-dithian-2-yl)-5-propan-2-ylpyrimidine
CID 115385569
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-[2-(2,2-dimethylcyclopropyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 107924274
1-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115385268
5-bromo-N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-amine
CID 115388571
4-chloro-2-(3-ethyl-1,4-dithian-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine
CID 115385602
3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-thiadiazol-5-amine
CID 115385468
N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 115388674

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The IUPAC name of 2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (CID 115388859) is 2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is CCC1SCCSC1c1nc(C)c(C(C)CN)c(C)n1.
What is the InChIKey of 2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The InChIKey is RHDQRKIELFKKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S2/c1-5-12-14(20-7-6-19-12)15-17-10(3)13(9(2)8-16)11(4)18-15/h9,12,14H,5-8,16H2,1-4H3.
What are the key properties of 2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine has a molecular weight of 311.52 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 115388859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).