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

C14H19N3OS — CID 66328796

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NC(C)c2cc(C)sc2C)ncn1
InChIInChI=1S/C14H19N3OS/c1-5-18-14-7-13(15-8-16-14)17-10(3)12-6-9(2)19-11(12)4/h6-8,10H,5H2,1-4H3,(H,15,16,17)
InChIKeyLTQBIIKGLHEONL-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.73
Rot. Bonds5

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

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine (PubChem CID 66328796) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine
PubChem CID66328796
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NC(C)c2cc(C)sc2C)ncn1
InChIInChI=1S/C14H19N3OS/c1-5-18-14-7-13(15-8-16-14)17-10(3)12-6-9(2)19-11(12)4/h6-8,10H,5H2,1-4H3,(H,15,16,17)
InChIKeyLTQBIIKGLHEONL-UHFFFAOYSA-N
XLogP3.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine
CID 54965289
6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66330763
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80801788
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 79173859
6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine
CID 66328442
1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine
CID 43200659
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine
CID 115355042
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine
CID 133351236
1-N-(6-ethoxypyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 66319691
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxypyrimidin-4-amine
CID 106388801
N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66328797

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine (CID 66328796) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine is CCOc1cc(NC(C)c2cc(C)sc2C)ncn1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine?
The InChIKey is LTQBIIKGLHEONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-5-18-14-7-13(15-8-16-14)17-10(3)12-6-9(2)19-11(12)4/h6-8,10H,5H2,1-4H3,(H,15,16,17).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine has a molecular weight of 277.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine is sourced from PubChem (CID 66328796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).