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

C11H11ClN4S — CID 80937974

IUPAC6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(Sc2ccc(Cl)cn2)n1
InChIInChI=1S/C11H11ClN4S/c1-2-9-15-8(13)5-11(16-9)17-10-4-3-7(12)6-14-10/h3-6H,2H2,1H3,(H2,13,15,16)
InChIKeyCJLRZBLPEHYSOA-UHFFFAOYSA-N
MW266.76 g/mol
LogP2.82
Rot. Bonds3

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

6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine (PubChem CID 80937974) has the molecular formula C11H11ClN4S and a molecular weight of 266.76 g/mol. Its IUPAC name is 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine
PubChem CID80937974
Molecular FormulaC11H11ClN4S
Molecular Weight266.76 g/mol
Exact Mass266.04
IUPAC Name6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(Sc2ccc(Cl)cn2)n1
InChIInChI=1S/C11H11ClN4S/c1-2-9-15-8(13)5-11(16-9)17-10-4-3-7(12)6-14-10/h3-6H,2H2,1H3,(H2,13,15,16)
InChIKeyCJLRZBLPEHYSOA-UHFFFAOYSA-N
XLogP2.82
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine (CID 80937974) is 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine is CCc1nc(N)cc(Sc2ccc(Cl)cn2)n1.
What is the InChIKey of 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine?
The InChIKey is CJLRZBLPEHYSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4S/c1-2-9-15-8(13)5-11(16-9)17-10-4-3-7(12)6-14-10/h3-6H,2H2,1H3,(H2,13,15,16).
What are the key properties of 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine?
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine has a molecular weight of 266.76 g/mol, XLogP of 2.82, 3 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]-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80937974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).