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

C13H17N3S — CID 62202443

IUPACN-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(C)s2)nc(C)c1C
InChIInChI=1S/C13H17N3S/c1-5-14-12-9(3)10(4)15-13(16-12)11-7-6-8(2)17-11/h6-7H,5H2,1-4H3,(H,14,15,16)
InChIKeyOOKWYFBOEMNUPD-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.56
Rot. Bonds3

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

N-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 62202443) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
PubChem CID62202443
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(C)s2)nc(C)c1C
InChIInChI=1S/C13H17N3S/c1-5-14-12-9(3)10(4)15-13(16-12)11-7-6-8(2)17-11/h6-7H,5H2,1-4H3,(H,14,15,16)
InChIKeyOOKWYFBOEMNUPD-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-yl]hydrazine
CID 62252622
2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 55045831
N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 62192547
N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63480179
N-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 62190978
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-2-(5-ethylfuran-2-yl)-5,6-dimethylpyrimidin-4-amine
CID 62344725
4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine
CID 60999742
N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
CID 81278021
4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol
CID 135978666
N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine
CID 62192376

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine (CID 62202443) is N-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine is CCNc1nc(-c2ccc(C)s2)nc(C)c1C.
What is the InChIKey of N-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is OOKWYFBOEMNUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-5-14-12-9(3)10(4)15-13(16-12)11-7-6-8(2)17-11/h6-7H,5H2,1-4H3,(H,14,15,16).
What are the key properties of N-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
N-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 247.37 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 62202443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).