4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine

C12H6Cl2N4S — CID 18931105

IUPAC4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine
SMILESClc1nc(-c2ncccn2)nc(Cl)c1-c1cccs1
InChIInChI=1S/C12H6Cl2N4S/c13-9-8(7-3-1-6-19-7)10(14)18-12(17-9)11-15-4-2-5-16-11/h1-6H
InChIKeyVYPBPBPOLHRZQO-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.97
Rot. Bonds2

About 4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine

4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine (PubChem CID 18931105) has the molecular formula C12H6Cl2N4S and a molecular weight of 309.18 g/mol. Its IUPAC name is 4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine
PubChem CID18931105
Molecular FormulaC12H6Cl2N4S
Molecular Weight309.18 g/mol
Exact Mass307.97
IUPAC Name4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine
SMILESClc1nc(-c2ncccn2)nc(Cl)c1-c1cccs1
InChIInChI=1S/C12H6Cl2N4S/c13-9-8(7-3-1-6-19-7)10(14)18-12(17-9)11-15-4-2-5-16-11/h1-6H
InChIKeyVYPBPBPOLHRZQO-UHFFFAOYSA-N
XLogP3.97
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine (CID 18931105) is 4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine is Clc1nc(-c2ncccn2)nc(Cl)c1-c1cccs1.
What is the InChIKey of 4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine?
The InChIKey is VYPBPBPOLHRZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N4S/c13-9-8(7-3-1-6-19-7)10(14)18-12(17-9)11-15-4-2-5-16-11/h1-6H.
What are the key properties of 4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine?
4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine has a molecular weight of 309.18 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-pyrimidin-2-yl-5-thiophen-2-ylpyrimidine is sourced from PubChem (CID 18931105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).