N-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine

C13H17N3S — CID 62321079

IUPACN-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(-c2ccc(CC)s2)n1
InChIInChI=1S/C13H17N3S/c1-4-10-6-7-11(17-10)13-15-9(3)8-12(16-13)14-5-2/h6-8H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyZICGZQUJIFEVQE-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.51
Rot. Bonds4

About N-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine

N-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine (PubChem CID 62321079) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine
PubChem CID62321079
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(-c2ccc(CC)s2)n1
InChIInChI=1S/C13H17N3S/c1-4-10-6-7-11(17-10)13-15-9(3)8-12(16-13)14-5-2/h6-8H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyZICGZQUJIFEVQE-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine (CID 62321079) is N-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(-c2ccc(CC)s2)n1.
What is the InChIKey of N-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine?
The InChIKey is ZICGZQUJIFEVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-4-10-6-7-11(17-10)13-15-9(3)8-12(16-13)14-5-2/h6-8H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of N-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine?
N-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine has a molecular weight of 247.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-ethylthiophen-2-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 62321079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).