N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine

C11H12N4S — CID 80888853

IUPACN-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
SMILESCCNc1cccc(Sc2ccncn2)n1
InChIInChI=1S/C11H12N4S/c1-2-13-9-4-3-5-11(15-9)16-10-6-7-12-8-14-10/h3-8H,2H2,1H3,(H,13,15)
InChIKeyPEUZPSRFNLGVPP-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.45
Rot. Bonds4

About N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine

N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine (PubChem CID 80888853) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
PubChem CID80888853
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC NameN-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
SMILESCCNc1cccc(Sc2ccncn2)n1
InChIInChI=1S/C11H12N4S/c1-2-13-9-4-3-5-11(15-9)16-10-6-7-12-8-14-10/h3-8H,2H2,1H3,(H,13,15)
InChIKeyPEUZPSRFNLGVPP-UHFFFAOYSA-N
XLogP2.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-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

6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylpyridin-2-amine
CID 102926926
N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine
CID 80885405
N-ethyl-8-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80889297
N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine
CID 80890762
N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882443
ethane;N-ethylpyrimidin-4-amine
CID 167491074
N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566849
N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine
CID 80890333
N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80882665
3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 102761520
6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine
CID 80893303
4-(3-tert-butylphenyl)sulfanylpyrimidine
CID 165347184

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine?
The IUPAC name of N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine (CID 80888853) is N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine.
What is the SMILES notation for N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine?
The canonical SMILES for N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine is CCNc1cccc(Sc2ccncn2)n1.
What is the InChIKey of N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine?
The InChIKey is PEUZPSRFNLGVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-2-13-9-4-3-5-11(15-9)16-10-6-7-12-8-14-10/h3-8H,2H2,1H3,(H,13,15).
What are the key properties of N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine?
N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine has a molecular weight of 232.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine is sourced from PubChem (CID 80888853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).