6-chloro-5-(2-phosphanylethynyl)pyrimidin-4-amine;ethane

C8H11ClN3P — CID 144961142

IUPAC6-chloro-5-(2-phosphanylethynyl)pyrimidin-4-amine;ethane
SMILESCC.Nc1ncnc(Cl)c1C#CP
InChIInChI=1S/C6H5ClN3P.C2H6/c7-5-4(1-2-11)6(8)10-3-9-5;1-2/h3H,11H2,(H2,8,9,10);1-2H3
InChIKeyWEUQEFDVSGKPHM-UHFFFAOYSA-N
MW215.62 g/mol
LogP1.92
Rot. Bonds

About 6-chloro-5-(2-phosphanylethynyl)pyrimidin-4-amine;ethane

6-chloro-5-(2-phosphanylethynyl)pyrimidin-4-amine;ethane (PubChem CID 144961142) has the molecular formula C8H11ClN3P and a molecular weight of 215.62 g/mol. Its IUPAC name is 6-chloro-5-(2-phosphanylethynyl)pyrimidin-4-amine;ethane.

Molecular Properties

Compound Name6-chloro-5-(2-phosphanylethynyl)pyrimidin-4-amine;ethane
PubChem CID144961142
Molecular FormulaC8H11ClN3P
Molecular Weight215.62 g/mol
Exact Mass215.04
IUPAC Name6-chloro-5-(2-phosphanylethynyl)pyrimidin-4-amine;ethane
SMILESCC.Nc1ncnc(Cl)c1C#CP
InChIInChI=1S/C6H5ClN3P.C2H6/c7-5-4(1-2-11)6(8)10-3-9-5;1-2/h3H,11H2,(H2,8,9,10);1-2H3
InChIKeyWEUQEFDVSGKPHM-UHFFFAOYSA-N
XLogP1.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.62
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-Dichloro-5-methylpyrimidine
CID 818860
6-Chloro-5-methylpyrimidin-4-amine
CID 21934626
6-Chloro-5-((trimethylsilyl)ethynyl)pyrimidin-4-amine
CID 90232498
6-Chloro-5-(difluoromethyl)pyrimidin-4-amine
CID 118290294
6-Chloro-5-(fluoromethyl)pyrimidin-4-amine
CID 123152485
6-chloro-N-(2-fluoroethyl)-5-methylpyrimidin-4-amine
CID 130504837
6-chloro-5-(difluoromethyl)-N-methylpyrimidin-4-amine
CID 168024350
6-chloro-5-(difluoromethyl)-N,N-dimethylpyrimidin-4-amine
CID 168024351
N-tert-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 18334767
6-Chloro-5-ethylpyrimidin-4-amine
CID 58497086
4-Amino-6-chloro-5-[(methylamino)methyl]pyrimidine
CID 58710440
6-chloro-N,5-dimethylpyrimidin-4-amine
CID 59762773

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-phosphanylethynyl)pyrimidin-4-amine;ethane?
The IUPAC name of 6-chloro-5-(2-phosphanylethynyl)pyrimidin-4-amine;ethane (CID 144961142) is 6-chloro-5-(2-phosphanylethynyl)pyrimidin-4-amine;ethane.
What is the SMILES notation for 6-chloro-5-(2-phosphanylethynyl)pyrimidin-4-amine;ethane?
The canonical SMILES for 6-chloro-5-(2-phosphanylethynyl)pyrimidin-4-amine;ethane is CC.Nc1ncnc(Cl)c1C#CP.
What is the InChIKey of 6-chloro-5-(2-phosphanylethynyl)pyrimidin-4-amine;ethane?
The InChIKey is WEUQEFDVSGKPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN3P.C2H6/c7-5-4(1-2-11)6(8)10-3-9-5;1-2/h3H,11H2,(H2,8,9,10);1-2H3.
What are the key properties of 6-chloro-5-(2-phosphanylethynyl)pyrimidin-4-amine;ethane?
6-chloro-5-(2-phosphanylethynyl)pyrimidin-4-amine;ethane has a molecular weight of 215.62 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-phosphanylethynyl)pyrimidin-4-amine;ethane is sourced from PubChem (CID 144961142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).