5-methyl-2-(4-methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine

C18H20N4S2 — CID 10498496

IUPAC5-methyl-2-(4-methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine
SMILESCc1c(-c2cccs2)nc(N2CCN(C)CC2)nc1-c1cccs1
InChIInChI=1S/C18H20N4S2/c1-13-16(14-5-3-11-23-14)19-18(22-9-7-21(2)8-10-22)20-17(13)15-6-4-12-24-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyURAWNKJEQXQYKX-UHFFFAOYSA-N
MW356.52 g/mol
LogP3.99
Rot. Bonds3

About 5-methyl-2-(4-methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine

5-methyl-2-(4-methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine (PubChem CID 10498496) has the molecular formula C18H20N4S2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 5-methyl-2-(4-methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine.

Molecular Properties

Compound Name5-methyl-2-(4-methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine
PubChem CID10498496
Molecular FormulaC18H20N4S2
Molecular Weight356.52 g/mol
Exact Mass356.11
IUPAC Name5-methyl-2-(4-methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine
SMILESCc1c(-c2cccs2)nc(N2CCN(C)CC2)nc1-c1cccs1
InChIInChI=1S/C18H20N4S2/c1-13-16(14-5-3-11-23-14)19-18(22-9-7-21(2)8-10-22)20-17(13)15-6-4-12-24-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyURAWNKJEQXQYKX-UHFFFAOYSA-N
XLogP3.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine?
The IUPAC name of 5-methyl-2-(4-methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine (CID 10498496) is 5-methyl-2-(4-methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine.
What is the SMILES notation for 5-methyl-2-(4-methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine?
The canonical SMILES for 5-methyl-2-(4-methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine is Cc1c(-c2cccs2)nc(N2CCN(C)CC2)nc1-c1cccs1.
What is the InChIKey of 5-methyl-2-(4-methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine?
The InChIKey is URAWNKJEQXQYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S2/c1-13-16(14-5-3-11-23-14)19-18(22-9-7-21(2)8-10-22)20-17(13)15-6-4-12-24-15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 5-methyl-2-(4-methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine?
5-methyl-2-(4-methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine has a molecular weight of 356.52 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine is sourced from PubChem (CID 10498496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).