4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine

C10H9ClN4S — CID 80936034

IUPAC4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine
SMILESCCc1nc(Cl)cc(Sc2ccncn2)n1
InChIInChI=1S/C10H9ClN4S/c1-2-8-14-7(11)5-10(15-8)16-9-3-4-12-6-13-9/h3-6H,2H2,1H3
InChIKeyQZXDNHXAWNXJMC-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.63
Rot. Bonds3

About 4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine

4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine (PubChem CID 80936034) has the molecular formula C10H9ClN4S and a molecular weight of 252.73 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine
PubChem CID80936034
Molecular FormulaC10H9ClN4S
Molecular Weight252.73 g/mol
Exact Mass252.02
IUPAC Name4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine
SMILESCCc1nc(Cl)cc(Sc2ccncn2)n1
InChIInChI=1S/C10H9ClN4S/c1-2-8-14-7(11)5-10(15-8)16-9-3-4-12-6-13-9/h3-6H,2H2,1H3
InChIKeyQZXDNHXAWNXJMC-UHFFFAOYSA-N
XLogP2.63
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 80945971
4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 63698531
4-chloro-2-ethyl-6-(4-nitrophenyl)sulfanylpyrimidine
CID 80936390
2-chloro-4-pyrimidin-4-ylsulfanylpyrimidine
CID 63697644
4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine
CID 80936563
4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine
CID 107780879
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine
CID 80937974
4-chloro-2-ethyl-6-(2-methoxyethylsulfanyl)pyrimidine
CID 80936473
3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 102761520
2-tert-butyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine
CID 80963270
4-chloro-2-ethyl-6-pentylsulfanylpyrimidine
CID 107751102
N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566849

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine (CID 80936034) is 4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine is CCc1nc(Cl)cc(Sc2ccncn2)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine?
The InChIKey is QZXDNHXAWNXJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S/c1-2-8-14-7(11)5-10(15-8)16-9-3-4-12-6-13-9/h3-6H,2H2,1H3.
What are the key properties of 4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine?
4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine has a molecular weight of 252.73 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine is sourced from PubChem (CID 80936034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).