N-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine

C12H15N3S — CID 62190978

IUPACN-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCCNc1cc(C)nc(-c2ccc(C)s2)n1
InChIInChI=1S/C12H15N3S/c1-4-13-11-7-8(2)14-12(15-11)10-6-5-9(3)16-10/h5-7H,4H2,1-3H3,(H,13,14,15)
InChIKeyFGVGGJSFPXGFRD-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.25
Rot. Bonds3

About N-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine

N-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 62190978) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
PubChem CID62190978
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCCNc1cc(C)nc(-c2ccc(C)s2)n1
InChIInChI=1S/C12H15N3S/c1-4-13-11-7-8(2)14-12(15-11)10-6-5-9(3)16-10/h5-7H,4H2,1-3H3,(H,13,14,15)
InChIKeyFGVGGJSFPXGFRD-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine (CID 62190978) is N-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine is CCNc1cc(C)nc(-c2ccc(C)s2)n1.
What is the InChIKey of N-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is FGVGGJSFPXGFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-4-13-11-7-8(2)14-12(15-11)10-6-5-9(3)16-10/h5-7H,4H2,1-3H3,(H,13,14,15).
What are the key properties of N-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
N-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 233.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 62190978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).