4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine

C17H24N6S — CID 163343966

IUPAC4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine
SMILESCCc1cc(N2CCN(c3ncnc(C)c3C)CC2)nc(SC)n1
InChIInChI=1S/C17H24N6S/c1-5-14-10-15(21-17(20-14)24-4)22-6-8-23(9-7-22)16-12(2)13(3)18-11-19-16/h10-11H,5-9H2,1-4H3
InChIKeyCYLRLVPODBTSRU-UHFFFAOYSA-N
MW344.49 g/mol
LogP2.49
Rot. Bonds4

About 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine

4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine (PubChem CID 163343966) has the molecular formula C17H24N6S and a molecular weight of 344.49 g/mol. Its IUPAC name is 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine
PubChem CID163343966
Molecular FormulaC17H24N6S
Molecular Weight344.49 g/mol
Exact Mass344.18
IUPAC Name4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine
SMILESCCc1cc(N2CCN(c3ncnc(C)c3C)CC2)nc(SC)n1
InChIInChI=1S/C17H24N6S/c1-5-14-10-15(21-17(20-14)24-4)22-6-8-23(9-7-22)16-12(2)13(3)18-11-19-16/h10-11H,5-9H2,1-4H3
InChIKeyCYLRLVPODBTSRU-UHFFFAOYSA-N
XLogP2.49
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine (CID 163343966) is 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine is CCc1cc(N2CCN(c3ncnc(C)c3C)CC2)nc(SC)n1.
What is the InChIKey of 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine?
The InChIKey is CYLRLVPODBTSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6S/c1-5-14-10-15(21-17(20-14)24-4)22-6-8-23(9-7-22)16-12(2)13(3)18-11-19-16/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine?
4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine has a molecular weight of 344.49 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 163343966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).