[2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane

C9H7Cl2N2PS — CID 170346331

IUPAC[2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane
SMILESCc1nc(Cl)nc(-c2ccc(Cl)s2)c1P
InChIInChI=1S/C9H7Cl2N2PS/c1-4-8(14)7(13-9(11)12-4)5-2-3-6(10)15-5/h2-3H,14H2,1H3
InChIKeyRJDMVWAWNGCYHX-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.32
Rot. Bonds1

About [2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane

[2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane (PubChem CID 170346331) has the molecular formula C9H7Cl2N2PS and a molecular weight of 277.12 g/mol. Its IUPAC name is [2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane.

Molecular Properties

Compound Name[2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane
PubChem CID170346331
Molecular FormulaC9H7Cl2N2PS
Molecular Weight277.12 g/mol
Exact Mass275.94
IUPAC Name[2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane
SMILESCc1nc(Cl)nc(-c2ccc(Cl)s2)c1P
InChIInChI=1S/C9H7Cl2N2PS/c1-4-8(14)7(13-9(11)12-4)5-2-3-6(10)15-5/h2-3H,14H2,1H3
InChIKeyRJDMVWAWNGCYHX-UHFFFAOYSA-N
XLogP3.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane?
The IUPAC name of [2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane (CID 170346331) is [2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane.
What is the SMILES notation for [2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane?
The canonical SMILES for [2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane is Cc1nc(Cl)nc(-c2ccc(Cl)s2)c1P.
What is the InChIKey of [2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane?
The InChIKey is RJDMVWAWNGCYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N2PS/c1-4-8(14)7(13-9(11)12-4)5-2-3-6(10)15-5/h2-3H,14H2,1H3.
What are the key properties of [2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane?
[2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane has a molecular weight of 277.12 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane is sourced from PubChem (CID 170346331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).