ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane

C13H17N2P — CID 90990178

IUPACethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane
SMILESCC.Cc1ccc(-c2ncc(P)cn2)cc1
InChIInChI=1S/C11H11N2P.C2H6/c1-8-2-4-9(5-3-8)11-12-6-10(14)7-13-11;1-2/h2-7H,14H2,1H3;1-2H3
InChIKeyKYQHGJDZBZHBDE-UHFFFAOYSA-N
MW232.27 g/mol
LogP2.98
Rot. Bonds1

About ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane

ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane (PubChem CID 90990178) has the molecular formula C13H17N2P and a molecular weight of 232.27 g/mol. Its IUPAC name is ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane.

Molecular Properties

Compound Nameethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane
PubChem CID90990178
Molecular FormulaC13H17N2P
Molecular Weight232.27 g/mol
Exact Mass232.11
IUPAC Nameethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane
SMILESCC.Cc1ccc(-c2ncc(P)cn2)cc1
InChIInChI=1S/C11H11N2P.C2H6/c1-8-2-4-9(5-3-8)11-12-6-10(14)7-13-11;1-2/h2-7H,14H2,1H3;1-2H3
InChIKeyKYQHGJDZBZHBDE-UHFFFAOYSA-N
XLogP2.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-phosphanylphenyl)pyrimidin-5-yl]phosphane
CID 59413814
2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine
CID 90064783
5-(4-methylphenyl)-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine
CID 21044112
[6-(4-methylphenyl)-3-pyridinyl]phosphane
CID 59609913
2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine
CID 59938712
6-methyl-3-(4-methylphenyl)-1,2,4-triazine
CID 14241961
4-(5-methylpyrimidin-2-yl)phenol
CID 135581358
1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine
CID 117231082
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233
(4-methylphenyl) 2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 23542854
5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine
CID 59982558
2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine
CID 134353176

Frequently Asked Questions

What is the IUPAC name of ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane?
The IUPAC name of ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane (CID 90990178) is ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane.
What is the SMILES notation for ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane?
The canonical SMILES for ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane is CC.Cc1ccc(-c2ncc(P)cn2)cc1.
What is the InChIKey of ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane?
The InChIKey is KYQHGJDZBZHBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2P.C2H6/c1-8-2-4-9(5-3-8)11-12-6-10(14)7-13-11;1-2/h2-7H,14H2,1H3;1-2H3.
What are the key properties of ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane?
ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane has a molecular weight of 232.27 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane is sourced from PubChem (CID 90990178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).