4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine

C11H17ClN4S — CID 80545554

IUPAC4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine
SMILESCCN1CCN(c2cc(Cl)nc(SC)n2)CC1
InChIInChI=1S/C11H17ClN4S/c1-3-15-4-6-16(7-5-15)10-8-9(12)13-11(14-10)17-2/h8H,3-7H2,1-2H3
InChIKeyVSGSSVKCRNVQJG-UHFFFAOYSA-N
MW272.81 g/mol
LogP1.99
Rot. Bonds3

About 4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine

4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine (PubChem CID 80545554) has the molecular formula C11H17ClN4S and a molecular weight of 272.81 g/mol. Its IUPAC name is 4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine
PubChem CID80545554
Molecular FormulaC11H17ClN4S
Molecular Weight272.81 g/mol
Exact Mass272.09
IUPAC Name4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine
SMILESCCN1CCN(c2cc(Cl)nc(SC)n2)CC1
InChIInChI=1S/C11H17ClN4S/c1-3-15-4-6-16(7-5-15)10-8-9(12)13-11(14-10)17-2/h8H,3-7H2,1-2H3
InChIKeyVSGSSVKCRNVQJG-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.81
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine (CID 80545554) is 4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine is CCN1CCN(c2cc(Cl)nc(SC)n2)CC1.
What is the InChIKey of 4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine?
The InChIKey is VSGSSVKCRNVQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4S/c1-3-15-4-6-16(7-5-15)10-8-9(12)13-11(14-10)17-2/h8H,3-7H2,1-2H3.
What are the key properties of 4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine?
4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine has a molecular weight of 272.81 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 80545554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).