N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine

C11H12N4S — CID 80882443

IUPACN-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ccccn2)ncn1
InChIInChI=1S/C11H12N4S/c1-2-12-9-7-11(15-8-14-9)16-10-5-3-4-6-13-10/h3-8H,2H2,1H3,(H,12,14,15)
InChIKeyYDCAGAFXUNZDKR-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.45
Rot. Bonds4

About N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine

N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80882443) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
PubChem CID80882443
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC NameN-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ccccn2)ncn1
InChIInChI=1S/C11H12N4S/c1-2-12-9-7-11(15-8-14-9)16-10-5-3-4-6-13-10/h3-8H,2H2,1H3,(H,12,14,15)
InChIKeyYDCAGAFXUNZDKR-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

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Related Compounds

6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80890451
6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine
CID 80883538
N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80882665
2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882787
6-N-ethyl-4-N-methyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 115265672
6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 106972572
N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 80888853
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80891150
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80889019
4-methyl-2-pyridin-2-ylsulfanylpyridine
CID 91863117
N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774883
N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892293

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine (CID 80882443) is N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine is CCNc1cc(Sc2ccccn2)ncn1.
What is the InChIKey of N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is YDCAGAFXUNZDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-2-12-9-7-11(15-8-14-9)16-10-5-3-4-6-13-10/h3-8H,2H2,1H3,(H,12,14,15).
What are the key properties of N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine?
N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-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-pyridin-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80882443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).