2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine

C14H19N3S — CID 55045831

IUPAC2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(-c2cc(C)sc2C)nc(C)c1C
InChIInChI=1S/C14H19N3S/c1-6-15-13-9(3)10(4)16-14(17-13)12-7-8(2)18-11(12)5/h7H,6H2,1-5H3,(H,15,16,17)
InChIKeyMDOCVQCXGNOYDP-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.87
Rot. Bonds3

About 2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine

2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine (PubChem CID 55045831) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
PubChem CID55045831
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(-c2cc(C)sc2C)nc(C)c1C
InChIInChI=1S/C14H19N3S/c1-6-15-13-9(3)10(4)16-14(17-13)12-7-8(2)18-11(12)5/h7H,6H2,1-5H3,(H,15,16,17)
InChIKeyMDOCVQCXGNOYDP-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 62202443
2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66296435
2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 66000619
N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
CID 81278021
2-(2,5-dimethylthiophen-3-yl)-5,6-dimethylpyrimidin-4-amine
CID 62203538
N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790643
N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 63486132
N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 62192547
2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66296123
4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol
CID 135978666
2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66297690
2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66297540

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine (CID 55045831) is 2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine is CCNc1nc(-c2cc(C)sc2C)nc(C)c1C.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The InChIKey is MDOCVQCXGNOYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-6-15-13-9(3)10(4)16-14(17-13)12-7-8(2)18-11(12)5/h7H,6H2,1-5H3,(H,15,16,17).
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine has a molecular weight of 261.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 55045831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).