4,6-dimethoxy-2-(2-piperazin-1-ylphenyl)sulfanylpyrimidine

C16H20N4O2S — CID 141426269

IUPAC4,6-dimethoxy-2-(2-piperazin-1-ylphenyl)sulfanylpyrimidine
SMILESCOc1cc(OC)nc(Sc2ccccc2N2CCNCC2)n1
InChIInChI=1S/C16H20N4O2S/c1-21-14-11-15(22-2)19-16(18-14)23-13-6-4-3-5-12(13)20-9-7-17-8-10-20/h3-6,11,17H,7-10H2,1-2H3
InChIKeyKQJWMRYDHRQARZ-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.05
Rot. Bonds5

About 4,6-dimethoxy-2-(2-piperazin-1-ylphenyl)sulfanylpyrimidine

4,6-dimethoxy-2-(2-piperazin-1-ylphenyl)sulfanylpyrimidine (PubChem CID 141426269) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4,6-dimethoxy-2-(2-piperazin-1-ylphenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-(2-piperazin-1-ylphenyl)sulfanylpyrimidine
PubChem CID141426269
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4,6-dimethoxy-2-(2-piperazin-1-ylphenyl)sulfanylpyrimidine
SMILESCOc1cc(OC)nc(Sc2ccccc2N2CCNCC2)n1
InChIInChI=1S/C16H20N4O2S/c1-21-14-11-15(22-2)19-16(18-14)23-13-6-4-3-5-12(13)20-9-7-17-8-10-20/h3-6,11,17H,7-10H2,1-2H3
InChIKeyKQJWMRYDHRQARZ-UHFFFAOYSA-N
XLogP2.05
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-(2-piperazin-1-ylphenyl)sulfanylpyrimidine?
The IUPAC name of 4,6-dimethoxy-2-(2-piperazin-1-ylphenyl)sulfanylpyrimidine (CID 141426269) is 4,6-dimethoxy-2-(2-piperazin-1-ylphenyl)sulfanylpyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-(2-piperazin-1-ylphenyl)sulfanylpyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-(2-piperazin-1-ylphenyl)sulfanylpyrimidine is COc1cc(OC)nc(Sc2ccccc2N2CCNCC2)n1.
What is the InChIKey of 4,6-dimethoxy-2-(2-piperazin-1-ylphenyl)sulfanylpyrimidine?
The InChIKey is KQJWMRYDHRQARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-21-14-11-15(22-2)19-16(18-14)23-13-6-4-3-5-12(13)20-9-7-17-8-10-20/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of 4,6-dimethoxy-2-(2-piperazin-1-ylphenyl)sulfanylpyrimidine?
4,6-dimethoxy-2-(2-piperazin-1-ylphenyl)sulfanylpyrimidine has a molecular weight of 332.43 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-(2-piperazin-1-ylphenyl)sulfanylpyrimidine is sourced from PubChem (CID 141426269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).