4-chloro-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine

C13H15ClN4S — CID 10756256

IUPAC4-chloro-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine
SMILESCN1CCN(c2nc(Cl)cc(-c3cccs3)n2)CC1
InChIInChI=1S/C13H15ClN4S/c1-17-4-6-18(7-5-17)13-15-10(9-12(14)16-13)11-3-2-8-19-11/h2-3,8-9H,4-7H2,1H3
InChIKeyJOGIFICSDLMGIB-UHFFFAOYSA-N
MW294.81 g/mol
LogP2.61
Rot. Bonds2

About 4-chloro-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine

4-chloro-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine (PubChem CID 10756256) has the molecular formula C13H15ClN4S and a molecular weight of 294.81 g/mol. Its IUPAC name is 4-chloro-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine
PubChem CID10756256
Molecular FormulaC13H15ClN4S
Molecular Weight294.81 g/mol
Exact Mass294.07
IUPAC Name4-chloro-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine
SMILESCN1CCN(c2nc(Cl)cc(-c3cccs3)n2)CC1
InChIInChI=1S/C13H15ClN4S/c1-17-4-6-18(7-5-17)13-15-10(9-12(14)16-13)11-3-2-8-19-11/h2-3,8-9H,4-7H2,1H3
InChIKeyJOGIFICSDLMGIB-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine (CID 10756256) is 4-chloro-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine is CN1CCN(c2nc(Cl)cc(-c3cccs3)n2)CC1.
What is the InChIKey of 4-chloro-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine?
The InChIKey is JOGIFICSDLMGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4S/c1-17-4-6-18(7-5-17)13-15-10(9-12(14)16-13)11-3-2-8-19-11/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 4-chloro-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine?
4-chloro-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine has a molecular weight of 294.81 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine is sourced from PubChem (CID 10756256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).