4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine

C7H8Cl2N2S — CID 174159301

IUPAC4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine
SMILESCCSc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C7H8Cl2N2S/c1-3-12-7-10-5(8)4(2)6(9)11-7/h3H2,1-2H3
InChIKeyIPDKNKQDIXIDSK-UHFFFAOYSA-N
MW223.13 g/mol
LogP3.20
Rot. Bonds2

About 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine

4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine (PubChem CID 174159301) has the molecular formula C7H8Cl2N2S and a molecular weight of 223.13 g/mol. Its IUPAC name is 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine
PubChem CID174159301
Molecular FormulaC7H8Cl2N2S
Molecular Weight223.13 g/mol
Exact Mass221.98
IUPAC Name4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine
SMILESCCSc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C7H8Cl2N2S/c1-3-12-7-10-5(8)4(2)6(9)11-7/h3H2,1-2H3
InChIKeyIPDKNKQDIXIDSK-UHFFFAOYSA-N
XLogP3.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.13
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,6-dichloro-5-methylpyrimidin-2-yl)methanethiol
CID 122575658
4-chloro-2-ethylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 142062461
4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine
CID 135374377
1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79077879
4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine
CID 63612316
2,4-bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine
CID 58689493
4-chloro-2-ethyl-5,6-dimethylpyrimidine
CID 21039945
4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine
CID 63892135
4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 70472300
6-bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline
CID 169201991
4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine
CID 82316401
4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
CID 95528658

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine (CID 174159301) is 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine is CCSc1nc(Cl)c(C)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine?
The InChIKey is IPDKNKQDIXIDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2S/c1-3-12-7-10-5(8)4(2)6(9)11-7/h3H2,1-2H3.
What are the key properties of 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine?
4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine has a molecular weight of 223.13 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine is sourced from PubChem (CID 174159301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).