6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine

C11H13N3S — CID 62201574

IUPAC6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCCc1cc(N)nc(-c2sccc2C)n1
InChIInChI=1S/C11H13N3S/c1-3-8-6-9(12)14-11(13-8)10-7(2)4-5-15-10/h4-6H,3H2,1-2H3,(H2,12,13,14)
InChIKeyNSTQUBIWBQEXFZ-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.66
Rot. Bonds2

About 6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine

6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 62201574) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
PubChem CID62201574
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCCc1cc(N)nc(-c2sccc2C)n1
InChIInChI=1S/C11H13N3S/c1-3-8-6-9(12)14-11(13-8)10-7(2)4-5-15-10/h4-6H,3H2,1-2H3,(H2,12,13,14)
InChIKeyNSTQUBIWBQEXFZ-UHFFFAOYSA-N
XLogP2.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine (CID 62201574) is 6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine is CCc1cc(N)nc(-c2sccc2C)n1.
What is the InChIKey of 6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is NSTQUBIWBQEXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-3-8-6-9(12)14-11(13-8)10-7(2)4-5-15-10/h4-6H,3H2,1-2H3,(H2,12,13,14).
What are the key properties of 6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine?
6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 219.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 62201574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).