N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine

C14H19N3O2S — CID 115355042

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC(C)c2cc(C)sc2C)n1
InChIInChI=1S/C14H19N3O2S/c1-8-6-11(10(3)20-8)9(2)15-14-16-12(18-4)7-13(17-14)19-5/h6-7,9H,1-5H3,(H,15,16,17)
InChIKeyQAJYBRGDCOJTGU-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.35
Rot. Bonds5

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine (PubChem CID 115355042) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine
PubChem CID115355042
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC(C)c2cc(C)sc2C)n1
InChIInChI=1S/C14H19N3O2S/c1-8-6-11(10(3)20-8)9(2)15-14-16-12(18-4)7-13(17-14)19-5/h6-7,9H,1-5H3,(H,15,16,17)
InChIKeyQAJYBRGDCOJTGU-UHFFFAOYSA-N
XLogP3.35
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine (CID 115355042) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine is COc1cc(OC)nc(NC(C)c2cc(C)sc2C)n1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is QAJYBRGDCOJTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-8-6-11(10(3)20-8)9(2)15-14-16-12(18-4)7-13(17-14)19-5/h6-7,9H,1-5H3,(H,15,16,17).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 293.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 115355042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).