6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine

C11H11ClN4S — CID 80890451

IUPAC6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ccc(Cl)cn2)ncn1
InChIInChI=1S/C11H11ClN4S/c1-2-13-9-5-11(16-7-15-9)17-10-4-3-8(12)6-14-10/h3-7H,2H2,1H3,(H,13,15,16)
InChIKeyRYTNKBLMURHJMV-UHFFFAOYSA-N
MW266.76 g/mol
LogP3.11
Rot. Bonds4

About 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine

6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine (PubChem CID 80890451) has the molecular formula C11H11ClN4S and a molecular weight of 266.76 g/mol. Its IUPAC name is 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine
PubChem CID80890451
Molecular FormulaC11H11ClN4S
Molecular Weight266.76 g/mol
Exact Mass266.04
IUPAC Name6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ccc(Cl)cn2)ncn1
InChIInChI=1S/C11H11ClN4S/c1-2-13-9-5-11(16-7-15-9)17-10-4-3-8(12)6-14-10/h3-7H,2H2,1H3,(H,13,15,16)
InChIKeyRYTNKBLMURHJMV-UHFFFAOYSA-N
XLogP3.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.76
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine
CID 80936963
N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882443
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80964942
6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine
CID 80883538
5-chloro-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
CID 80890456
5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
CID 80890895
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine
CID 80937974
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80889019
4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80778536
4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80847426
5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80613353
6-(2-bromo-4-chlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80881299

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine (CID 80890451) is 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine is CCNc1cc(Sc2ccc(Cl)cn2)ncn1.
What is the InChIKey of 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine?
The InChIKey is RYTNKBLMURHJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4S/c1-2-13-9-5-11(16-7-15-9)17-10-4-3-8(12)6-14-10/h3-7H,2H2,1H3,(H,13,15,16).
What are the key properties of 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine?
6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine has a molecular weight of 266.76 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80890451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).