[2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane

C12H13N2P — CID 143060384

IUPAC[2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane
SMILESCc1ccc(C)c(-c2nccc(P)n2)c1
InChIInChI=1S/C12H13N2P/c1-8-3-4-9(2)10(7-8)12-13-6-5-11(15)14-12/h3-7H,15H2,1-2H3
InChIKeyZMEYJBKDBUMKQX-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.26
Rot. Bonds1

About [2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane

[2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane (PubChem CID 143060384) has the molecular formula C12H13N2P and a molecular weight of 216.22 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane
PubChem CID143060384
Molecular FormulaC12H13N2P
Molecular Weight216.22 g/mol
Exact Mass216.08
IUPAC Name[2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane
SMILESCc1ccc(C)c(-c2nccc(P)n2)c1
InChIInChI=1S/C12H13N2P/c1-8-3-4-9(2)10(7-8)12-13-6-5-11(15)14-12/h3-7H,15H2,1-2H3
InChIKeyZMEYJBKDBUMKQX-UHFFFAOYSA-N
XLogP2.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.26
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-(2,5-dimethylphenyl)-7-methylpurine
CID 157011737
2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline
CID 82477593
[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine
CID 82471015
2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66295351
2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 62389112
2-(2,5-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 62190972
2-(2,5-dimethylphenyl)-1H-imidazole
CID 55253579
2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine
CID 116898685
3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899155
2-(5-fluoro-2-methylphenyl)pyrimidine-4-carbaldehyde
CID 62748790
5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole
CID 97057988
5-(2-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole
CID 97057852

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane?
The IUPAC name of [2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane (CID 143060384) is [2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane.
What is the SMILES notation for [2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane?
The canonical SMILES for [2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane is Cc1ccc(C)c(-c2nccc(P)n2)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane?
The InChIKey is ZMEYJBKDBUMKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2P/c1-8-3-4-9(2)10(7-8)12-13-6-5-11(15)14-12/h3-7H,15H2,1-2H3.
What are the key properties of [2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane?
[2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane has a molecular weight of 216.22 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane is sourced from PubChem (CID 143060384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).